N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3,4-dichlorophenyl)ethanamine

C16H16Cl3NO — CID 65022720

IUPACN-[(3-chloro-4-methoxyphenyl)methyl]-1-(3,4-dichlorophenyl)ethanamine
SMILESCOc1ccc(CNC(C)c2ccc(Cl)c(Cl)c2)cc1Cl
InChIInChI=1S/C16H16Cl3NO/c1-10(12-4-5-13(17)14(18)8-12)20-9-11-3-6-16(21-2)15(19)7-11/h3-8,10,20H,9H2,1-2H3
InChIKeyVOFNXKGGDCQMTO-UHFFFAOYSA-N
MW344.67 g/mol
LogP5.51
Rot. Bonds5

About N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3,4-dichlorophenyl)ethanamine

N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3,4-dichlorophenyl)ethanamine (PubChem CID 65022720) has the molecular formula C16H16Cl3NO and a molecular weight of 344.67 g/mol. Its IUPAC name is N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3,4-dichlorophenyl)ethanamine.

Molecular Properties

Compound NameN-[(3-chloro-4-methoxyphenyl)methyl]-1-(3,4-dichlorophenyl)ethanamine
PubChem CID65022720
Molecular FormulaC16H16Cl3NO
Molecular Weight344.67 g/mol
Exact Mass343.03
IUPAC NameN-[(3-chloro-4-methoxyphenyl)methyl]-1-(3,4-dichlorophenyl)ethanamine
SMILESCOc1ccc(CNC(C)c2ccc(Cl)c(Cl)c2)cc1Cl
InChIInChI=1S/C16H16Cl3NO/c1-10(12-4-5-13(17)14(18)8-12)20-9-11-3-6-16(21-2)15(19)7-11/h3-8,10,20H,9H2,1-2H3
InChIKeyVOFNXKGGDCQMTO-UHFFFAOYSA-N
XLogP5.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.67
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-N-[(3-chloro-4-methoxyphenyl)methyl]-1-pyridin-4-ylethanamine
CID 81405869
(1S)-N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81354628
(1R)-N-[(3,4-dichlorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376275
N-[(3-chloro-4-methoxyphenyl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 65022718
(1R)-1-(3,4-dichlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 30620479
N-[(4-chloro-3-fluorophenyl)methyl]-1-(3,4-dichlorophenyl)ethanamine
CID 63420735
N-[1-(3-chloro-4-methoxyphenyl)ethyl]-2-methylpropan-1-amine
CID 115623649
N-[(3,4-dichlorophenyl)methyl]-1-(4-ethylphenyl)ethanamine
CID 43221490
1,2-dichloro-4-[2-chloro-2-(3-chloro-4-methoxyphenyl)ethyl]benzene
CID 63431003
3-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-4-methoxyaniline
CID 43101909
N-[(3-chloro-4-methoxyphenyl)methyl]-4-methylpentan-2-amine
CID 65022730
N-[1-(3-chloro-4-methoxyphenyl)ethyl]but-2-yn-1-amine
CID 115865739

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3,4-dichlorophenyl)ethanamine?
The IUPAC name of N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3,4-dichlorophenyl)ethanamine (CID 65022720) is N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3,4-dichlorophenyl)ethanamine.
What is the SMILES notation for N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3,4-dichlorophenyl)ethanamine?
The canonical SMILES for N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3,4-dichlorophenyl)ethanamine is COc1ccc(CNC(C)c2ccc(Cl)c(Cl)c2)cc1Cl.
What is the InChIKey of N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3,4-dichlorophenyl)ethanamine?
The InChIKey is VOFNXKGGDCQMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl3NO/c1-10(12-4-5-13(17)14(18)8-12)20-9-11-3-6-16(21-2)15(19)7-11/h3-8,10,20H,9H2,1-2H3.
What are the key properties of N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3,4-dichlorophenyl)ethanamine?
N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3,4-dichlorophenyl)ethanamine has a molecular weight of 344.67 g/mol, XLogP of 5.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3,4-dichlorophenyl)ethanamine is sourced from PubChem (CID 65022720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).