N-[(2-chloro-4-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine

C17H20ClNO2 — CID 43562040

IUPACN-[(2-chloro-4-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)cc1Cl)c1ccccc1OC
InChIInChI=1S/C17H20ClNO2/c1-4-19-17(14-7-5-6-8-16(14)21-3)13-10-9-12(20-2)11-15(13)18/h5-11,17,19H,4H2,1-3H3
InChIKeyFLDHYVXWDAOHPF-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.06
Rot. Bonds6

About N-[(2-chloro-4-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine

N-[(2-chloro-4-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine (PubChem CID 43562040) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is N-[(2-chloro-4-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-chloro-4-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine
PubChem CID43562040
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC NameN-[(2-chloro-4-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)cc1Cl)c1ccccc1OC
InChIInChI=1S/C17H20ClNO2/c1-4-19-17(14-7-5-6-8-16(14)21-3)13-10-9-12(20-2)11-15(13)18/h5-11,17,19H,4H2,1-3H3
InChIKeyFLDHYVXWDAOHPF-UHFFFAOYSA-N
XLogP4.06
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 ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-4-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 62945872
N-[(2-chloro-4-methoxyphenyl)-(2,3-dimethylphenyl)methyl]ethanamine
CID 43562044
N-[(2-bromo-5-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 105093219
N-[(2-chloro-4-methoxyphenyl)-(2-chlorophenyl)methyl]propan-1-amine
CID 43562132
N-[(2-bromo-4-fluorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine
CID 43562063
N-[(2-chloro-4-methoxyphenyl)-(furan-2-yl)methyl]ethanamine
CID 43562069
N-[(2-bromo-5-fluorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine
CID 43562053
N-[(4-chloro-2-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 63081777
N-[(3-chloro-2-methylphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 107102020
N-[(3-chloro-2-pyridinyl)-(2,4-dimethoxyphenyl)methyl]ethanamine
CID 103444648
N-[(2-methoxy-4-methylphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 106792216
N-[(2-methoxyphenyl)-phenylmethyl]ethanamine
CID 43489120

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(2-chloro-4-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine (CID 43562040) is N-[(2-chloro-4-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-chloro-4-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-chloro-4-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine is CCNC(c1ccc(OC)cc1Cl)c1ccccc1OC.
What is the InChIKey of N-[(2-chloro-4-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine?
The InChIKey is FLDHYVXWDAOHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-4-19-17(14-7-5-6-8-16(14)21-3)13-10-9-12(20-2)11-15(13)18/h5-11,17,19H,4H2,1-3H3.
What are the key properties of N-[(2-chloro-4-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine?
N-[(2-chloro-4-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine has a molecular weight of 305.81 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 43562040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).