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

C21H28N2O3 — CID 78809930

IUPACN-[(3,5-dimethoxyphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine
SMILESCOc1cc(CNCc2ccc(CN3CCOCC3)cc2)cc(OC)c1
InChIInChI=1S/C21H28N2O3/c1-24-20-11-19(12-21(13-20)25-2)15-22-14-17-3-5-18(6-4-17)16-23-7-9-26-10-8-23/h3-6,11-13,22H,7-10,14-16H2,1-2H3
InChIKeyZLKZVHKOFYTNNW-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.83
Rot. Bonds8

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

N-[(3,5-dimethoxyphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine (PubChem CID 78809930) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine
PubChem CID78809930
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC NameN-[(3,5-dimethoxyphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine
SMILESCOc1cc(CNCc2ccc(CN3CCOCC3)cc2)cc(OC)c1
InChIInChI=1S/C21H28N2O3/c1-24-20-11-19(12-21(13-20)25-2)15-22-14-17-3-5-18(6-4-17)16-23-7-9-26-10-8-23/h3-6,11-13,22H,7-10,14-16H2,1-2H3
InChIKeyZLKZVHKOFYTNNW-UHFFFAOYSA-N
XLogP2.83
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine
CID 86843039
N-[(2,5-dimethoxyphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine
CID 78809737
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-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]-1-(4-methoxyphenyl)methanamine;dihydrochloride
CID 17216121
N-methoxy-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine
CID 117345350
1-[4-(morpholin-4-ylmethyl)phenyl]-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine
CID 17418891
N-[(3,5-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 775262
N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 6460386
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine
CID 78809733
N-[(3,5-dimethoxyphenyl)methyl]morpholin-4-amine
CID 83011668
N-[(3,5-dimethoxyphenyl)methyl]-1-(2-morpholin-4-yl-4-pyridinyl)methanamine
CID 38048783
N-[(3,5-dimethoxyphenyl)methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine
CID 38051168

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine?
The IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine (CID 78809930) is N-[(3,5-dimethoxyphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine is COc1cc(CNCc2ccc(CN3CCOCC3)cc2)cc(OC)c1.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine?
The InChIKey is ZLKZVHKOFYTNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-24-20-11-19(12-21(13-20)25-2)15-22-14-17-3-5-18(6-4-17)16-23-7-9-26-10-8-23/h3-6,11-13,22H,7-10,14-16H2,1-2H3.
What are the key properties of N-[(3,5-dimethoxyphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine?
N-[(3,5-dimethoxyphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine has a molecular weight of 356.47 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethoxyphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine is sourced from PubChem (CID 78809930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).