2-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)-N-methylethanamine

C17H20ClNO2 — CID 60819659

IUPAC2-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(Cl)c1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C17H20ClNO2/c1-19-15(10-12-5-4-6-14(18)9-12)13-7-8-16(20-2)17(11-13)21-3/h4-9,11,15,19H,10H2,1-3H3
InChIKeyDWGSMHKMEKKYKR-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.86
Rot. Bonds6

About 2-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)-N-methylethanamine

2-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)-N-methylethanamine (PubChem CID 60819659) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)-N-methylethanamine
PubChem CID60819659
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name2-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(Cl)c1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C17H20ClNO2/c1-19-15(10-12-5-4-6-14(18)9-12)13-7-8-16(20-2)17(11-13)21-3/h4-9,11,15,19H,10H2,1-3H3
InChIKeyDWGSMHKMEKKYKR-UHFFFAOYSA-N
XLogP3.86
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-chloro-2-(3-chlorophenyl)ethyl]-1,2-dimethoxybenzene
CID 63428713
2-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)ethanamine
CID 3052546
2-(3-chlorophenyl)-N-methyl-1-naphthalen-2-ylethanamine
CID 63412161
2-(3,4-dimethoxyphenyl)-N-methyl-1-(3-methylphenyl)ethanamine
CID 60864252
2-(3-chlorophenyl)-1-(3-ethoxyphenyl)-N-methylethanamine
CID 60818609
2-(3,4-dimethoxyphenyl)-N-methyl-1-(4-methylphenyl)ethanamine
CID 3070941
1-(3-bromo-4-methoxyphenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 43479903
2-(3-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylethanamine
CID 43487445
2-(3-fluorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine
CID 61066475
1-(3-bromo-4-methoxyphenyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 62389754
1-(3-chlorophenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 60818995
2-(3-methoxyphenyl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
CID 43625329

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)-N-methylethanamine?
The IUPAC name of 2-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)-N-methylethanamine (CID 60819659) is 2-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)-N-methylethanamine?
The canonical SMILES for 2-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)-N-methylethanamine is CNC(Cc1cccc(Cl)c1)c1ccc(OC)c(OC)c1.
What is the InChIKey of 2-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)-N-methylethanamine?
The InChIKey is DWGSMHKMEKKYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-19-15(10-12-5-4-6-14(18)9-12)13-7-8-16(20-2)17(11-13)21-3/h4-9,11,15,19H,10H2,1-3H3.
What are the key properties of 2-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)-N-methylethanamine?
2-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)-N-methylethanamine has a molecular weight of 305.81 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 60819659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).