1-(2-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]ethanamine

C17H20ClNO2 — CID 43080290

IUPAC1-(2-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]ethanamine
SMILESCOc1ccc(OC)c(CNC(C)c2ccccc2Cl)c1
InChIInChI=1S/C17H20ClNO2/c1-12(15-6-4-5-7-16(15)18)19-11-13-10-14(20-2)8-9-17(13)21-3/h4-10,12,19H,11H2,1-3H3
InChIKeyOHHNBKALQPIZOL-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.21
Rot. Bonds6

About 1-(2-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]ethanamine

1-(2-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]ethanamine (PubChem CID 43080290) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]ethanamine
PubChem CID43080290
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name1-(2-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]ethanamine
SMILESCOc1ccc(OC)c(CNC(C)c2ccccc2Cl)c1
InChIInChI=1S/C17H20ClNO2/c1-12(15-6-4-5-7-16(15)18)19-11-13-10-14(20-2)8-9-17(13)21-3/h4-10,12,19H,11H2,1-3H3
InChIKeyOHHNBKALQPIZOL-UHFFFAOYSA-N
XLogP4.21
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 ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)ethanamine
CID 43217091
1-(2-chlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine;hydrochloride
CID 47008256
(1S)-1-(2-chlorophenyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 104791978
(1S)-1-(2-chlorophenyl)-N-[(4-methoxy-3-methylphenyl)methyl]ethanamine
CID 81376878
(1S)-N-[(2-chloro-5-fluorophenyl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 102615853
(1S)-1-(2-bromophenyl)-N-[(5-chloro-2-methoxyphenyl)methyl]ethanamine
CID 81383552
N-[(2,5-dimethoxyphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 43400255
1-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 43177778
2-[[1-(2,5-dimethoxyphenyl)ethylamino]methyl]benzonitrile
CID 42921657
N-[(3-chloro-2-fluorophenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 115695829
(1R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(5-methyl-1-phenylpyrazol-4-yl)ethanamine
CID 51902743
N-[(2,5-dimethoxyphenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine
CID 43222018

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]ethanamine?
The IUPAC name of 1-(2-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]ethanamine (CID 43080290) is 1-(2-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]ethanamine?
The canonical SMILES for 1-(2-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]ethanamine is COc1ccc(OC)c(CNC(C)c2ccccc2Cl)c1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]ethanamine?
The InChIKey is OHHNBKALQPIZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-12(15-6-4-5-7-16(15)18)19-11-13-10-14(20-2)8-9-17(13)21-3/h4-10,12,19H,11H2,1-3H3.
What are the key properties of 1-(2-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]ethanamine?
1-(2-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]ethanamine has a molecular weight of 305.81 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 43080290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).