1-(4-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]ethanamine

C17H20ClNO2 — CID 43079660

IUPAC1-(4-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]ethanamine
SMILESCOc1ccc(CNC(C)c2ccc(Cl)cc2)c(OC)c1
InChIInChI=1S/C17H20ClNO2/c1-12(13-4-7-15(18)8-5-13)19-11-14-6-9-16(20-2)10-17(14)21-3/h4-10,12,19H,11H2,1-3H3
InChIKeyXFZXGMHXVGJEQE-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.21
Rot. Bonds6

About 1-(4-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]ethanamine

1-(4-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]ethanamine (PubChem CID 43079660) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]ethanamine
PubChem CID43079660
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name1-(4-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]ethanamine
SMILESCOc1ccc(CNC(C)c2ccc(Cl)cc2)c(OC)c1
InChIInChI=1S/C17H20ClNO2/c1-12(13-4-7-15(18)8-5-13)19-11-14-6-9-16(20-2)10-17(14)21-3/h4-10,12,19H,11H2,1-3H3
InChIKeyXFZXGMHXVGJEQE-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

(1R)-1-(4-chlorophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine
CID 30621148
N-[(2,4-dimethoxyphenyl)methyl]-1-phenylethanamine;oxalic acid
CID 17052931
N-[(5-chloro-2-fluorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 115762172
(1R)-N-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 28738276
N-[(2,4-dimethoxyphenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 43182657
N-[1-(4-chlorophenyl)ethyl]-2-(2,5-dimethoxyphenyl)acetamide
CID 43874167
1-(4-chlorophenyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 104791683
N-[(3,5-dichlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 62050092
(1R)-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-phenylethanamine
CID 96930071
(1R)-1-(4-chlorophenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
CID 81352293
(1S)-N-[(2,4-dichlorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376151
2,4-dichloro-6-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]phenol
CID 81367252

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]ethanamine?
The IUPAC name of 1-(4-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]ethanamine (CID 43079660) is 1-(4-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]ethanamine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]ethanamine is COc1ccc(CNC(C)c2ccc(Cl)cc2)c(OC)c1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]ethanamine?
The InChIKey is XFZXGMHXVGJEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-12(13-4-7-15(18)8-5-13)19-11-14-6-9-16(20-2)10-17(14)21-3/h4-10,12,19H,11H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]ethanamine?
1-(4-chlorophenyl)-N-[(2,4-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-(4-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 43079660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).