1-[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]-N-[[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]methyl]methanamine

C50H59N5O4 — CID 101451224

IUPAC1-[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]-N-[[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]methyl]methanamine
SMILESCOc1cc(CNCc2ccc(CNCc3ccc(CNCc4ccc(CNCc5ccc(CNCc6cc(OC)cc(OC)c6)cc5)cc4)cc3)cc2)cc(OC)c1
InChIInChI=1S/C50H59N5O4/c1-56-47-21-45(22-48(25-47)57-2)35-54-33-43-17-13-41(14-18-43)31-52-29-39-9-5-37(6-10-39)27-51-28-38-7-11-40(12-8-38)30-53-32-42-15-19-44(20-16-42)34-55-36-46-23-49(58-3)26-50(24-46)59-4/h5-26,51-55H,27-36H2,1-4H3
InChIKeyZYZKXXVKSYNREP-UHFFFAOYSA-N
MW794.05 g/mol
LogP8.17
Rot. Bonds24

About 1-[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]-N-[[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]methyl]methanamine

1-[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]-N-[[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]methyl]methanamine (PubChem CID 101451224) has the molecular formula C50H59N5O4 and a molecular weight of 794.05 g/mol. Its IUPAC name is 1-[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]-N-[[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]-N-[[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]methyl]methanamine
PubChem CID101451224
Molecular FormulaC50H59N5O4
Molecular Weight794.05 g/mol
Exact Mass793.46
IUPAC Name1-[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]-N-[[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]methyl]methanamine
SMILESCOc1cc(CNCc2ccc(CNCc3ccc(CNCc4ccc(CNCc5ccc(CNCc6cc(OC)cc(OC)c6)cc5)cc4)cc3)cc2)cc(OC)c1
InChIInChI=1S/C50H59N5O4/c1-56-47-21-45(22-48(25-47)57-2)35-54-33-43-17-13-41(14-18-43)31-52-29-39-9-5-37(6-10-39)27-51-28-38-7-11-40(12-8-38)30-53-32-42-15-19-44(20-16-42)34-55-36-46-23-49(58-3)26-50(24-46)59-4/h5-26,51-55H,27-36H2,1-4H3
InChIKeyZYZKXXVKSYNREP-UHFFFAOYSA-N
XLogP8.17
TPSA97.07 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds24
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500794.05
LogP ≤ 58.17
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze 1-[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]-N-[[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]methyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[[[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]methylamino]methyl]phenyl]-N-[[4-[[[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]methylamino]methyl]phenyl]methyl]methanamine
CID 101451225
N-[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methyl]-1-[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]methanamine
CID 101451223
N-[(3,5-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 775262
N-[(3,5-dimethoxyphenyl)methyl]-1-(4-methylsulfanylphenyl)methanamine
CID 738585
1-(3,4-difluorophenyl)-N-[(3,5-dimethoxyphenyl)methyl]methanamine
CID 792126
1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine;dihydrochloride
CID 67859421
N-[(3,5-dimethoxyphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine
CID 78809930
1-(1,3-benzodioxol-5-yl)-N-[(3,5-dimethoxyphenyl)methyl]methanamine
CID 775446
1-(2,4-dimethoxyphenyl)-N-[(3,5-dimethoxyphenyl)methyl]methanamine;hydrochloride
CID 47020695
N-(anthracen-9-ylmethyl)-1-(3,5-dimethoxyphenyl)methanamine
CID 46221872
N-[(2,6-dibromo-4-methoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine;ethane
CID 142156026
N-[(3,5-dichloro-4-methoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 29224259

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]-N-[[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]methyl]methanamine?
The IUPAC name of 1-[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]-N-[[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]methyl]methanamine (CID 101451224) is 1-[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]-N-[[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]methyl]methanamine.
What is the SMILES notation for 1-[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]-N-[[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]methyl]methanamine?
The canonical SMILES for 1-[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]-N-[[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]methyl]methanamine is COc1cc(CNCc2ccc(CNCc3ccc(CNCc4ccc(CNCc5ccc(CNCc6cc(OC)cc(OC)c6)cc5)cc4)cc3)cc2)cc(OC)c1.
What is the InChIKey of 1-[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]-N-[[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]methyl]methanamine?
The InChIKey is ZYZKXXVKSYNREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H59N5O4/c1-56-47-21-45(22-48(25-47)57-2)35-54-33-43-17-13-41(14-18-43)31-52-29-39-9-5-37(6-10-39)27-51-28-38-7-11-40(12-8-38)30-53-32-42-15-19-44(20-16-42)34-55-36-46-23-49(58-3)26-50(24-46)59-4/h5-26,51-55H,27-36H2,1-4H3.
What are the key properties of 1-[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]-N-[[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]methyl]methanamine?
1-[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]-N-[[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]methyl]methanamine has a molecular weight of 794.05 g/mol, XLogP of 8.17, 24 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]-N-[[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]methyl]methanamine is sourced from PubChem (CID 101451224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).