N-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine

C22H30N2O2 — CID 86843039

IUPACN-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine
SMILESCOc1c(C)cc(CNCc2ccc(CN3CCOCC3)cc2)cc1C
InChIInChI=1S/C22H30N2O2/c1-17-12-21(13-18(2)22(17)25-3)15-23-14-19-4-6-20(7-5-19)16-24-8-10-26-11-9-24/h4-7,12-13,23H,8-11,14-16H2,1-3H3
InChIKeyYVLRIKAPOAWOGV-UHFFFAOYSA-N
MW354.49 g/mol
LogP3.43
Rot. Bonds7

About N-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine

N-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine (PubChem CID 86843039) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is N-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine
PubChem CID86843039
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC NameN-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine
SMILESCOc1c(C)cc(CNCc2ccc(CN3CCOCC3)cc2)cc1C
InChIInChI=1S/C22H30N2O2/c1-17-12-21(13-18(2)22(17)25-3)15-23-14-19-4-6-20(7-5-19)16-24-8-10-26-11-9-24/h4-7,12-13,23H,8-11,14-16H2,1-3H3
InChIKeyYVLRIKAPOAWOGV-UHFFFAOYSA-N
XLogP3.43
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]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

N-[(3,5-dimethoxyphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine
CID 78809930
1-[4-(morpholin-4-ylmethyl)phenyl]-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine
CID 17418891
N-[(2,5-dimethoxyphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine
CID 78809737
N-methoxy-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine
CID 117345350
N-[(2,3-dimethylphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine
CID 78809922
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine
CID 78809733
3,4,5-trimethoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 27890450
N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]-1-(4-methoxyphenyl)methanamine;dihydrochloride
CID 17216121
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]hydroxylamine
CID 117318560
N-[(3,5-dichloro-4-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 29241589
2,3,4-trimethoxy-6-[4-(morpholin-4-ylmethyl)phenyl]benzaldehyde
CID 39234415
N-[(2-fluorophenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine
CID 78809807

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine?
The IUPAC name of N-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine (CID 86843039) is N-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine.
What is the SMILES notation for N-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine?
The canonical SMILES for N-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine is COc1c(C)cc(CNCc2ccc(CN3CCOCC3)cc2)cc1C.
What is the InChIKey of N-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine?
The InChIKey is YVLRIKAPOAWOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-17-12-21(13-18(2)22(17)25-3)15-23-14-19-4-6-20(7-5-19)16-24-8-10-26-11-9-24/h4-7,12-13,23H,8-11,14-16H2,1-3H3.
What are the key properties of N-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine?
N-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine has a molecular weight of 354.49 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine is sourced from PubChem (CID 86843039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).