1-(4-chlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine

C17H20ClNO3 — CID 52526472

IUPAC1-(4-chlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine
SMILESCOc1ccc(CNCc2ccc(Cl)cc2)c(OC)c1OC
InChIInChI=1S/C17H20ClNO3/c1-20-15-9-6-13(16(21-2)17(15)22-3)11-19-10-12-4-7-14(18)8-5-12/h4-9,19H,10-11H2,1-3H3
InChIKeyPDOMIZLFJVHRMF-UHFFFAOYSA-N
MW321.80 g/mol
LogP3.66
Rot. Bonds7

About 1-(4-chlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine

1-(4-chlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine (PubChem CID 52526472) has the molecular formula C17H20ClNO3 and a molecular weight of 321.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine
PubChem CID52526472
Molecular FormulaC17H20ClNO3
Molecular Weight321.80 g/mol
Exact Mass321.11
IUPAC Name1-(4-chlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine
SMILESCOc1ccc(CNCc2ccc(Cl)cc2)c(OC)c1OC
InChIInChI=1S/C17H20ClNO3/c1-20-15-9-6-13(16(21-2)17(15)22-3)11-19-10-12-4-7-14(18)8-5-12/h4-9,19H,10-11H2,1-3H3
InChIKeyPDOMIZLFJVHRMF-UHFFFAOYSA-N
XLogP3.66
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.80
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethoxyphenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine;hydrochloride
CID 47008110
N-[(5-chloro-2-methoxyphenyl)methyl]-1-(4-chlorophenyl)methanamine
CID 43410760
oxalic acid;1-phenyl-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine
CID 17052977
1-[4-(morpholin-4-ylmethyl)phenyl]-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine
CID 17418891
1-(4-chlorophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]methanamine
CID 43406541
N-[(3,5-dimethoxyphenyl)methyl]-1-(2,3,4-trimethoxyphenyl)methanamine;hydrochloride
CID 47052559
N'-[(2,3,4-trimethoxyphenyl)methyl]-N-[2-[(2,3,4-trimethoxyphenyl)methylamino]ethyl]ethane-1,2-diamine;trihydrochloride
CID 139593123
N-[(2-chloro-6-fluorophenyl)methyl]-1-(2,3,4-trimethoxyphenyl)methanamine
CID 52672299
1-pyridin-3-yl-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine
CID 1075948
2-[(2,3,4-trimethoxyphenyl)methylamino]acetonitrile
CID 139371375
2-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]propan-1-amine
CID 4719122
N-[(5-chloro-2-methoxyphenyl)methyl]-1-phenylmethanamine
CID 4723308

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine?
The IUPAC name of 1-(4-chlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine (CID 52526472) is 1-(4-chlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine is COc1ccc(CNCc2ccc(Cl)cc2)c(OC)c1OC.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine?
The InChIKey is PDOMIZLFJVHRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO3/c1-20-15-9-6-13(16(21-2)17(15)22-3)11-19-10-12-4-7-14(18)8-5-12/h4-9,19H,10-11H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine?
1-(4-chlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine has a molecular weight of 321.80 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine is sourced from PubChem (CID 52526472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).