N-[(4-chloro-3-methoxyphenyl)-(2-methoxy-3-pyridinyl)methyl]ethanamine

C16H19ClN2O2 — CID 105164557

IUPACN-[(4-chloro-3-methoxyphenyl)-(2-methoxy-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)c(OC)c1)c1cccnc1OC
InChIInChI=1S/C16H19ClN2O2/c1-4-18-15(12-6-5-9-19-16(12)21-3)11-7-8-13(17)14(10-11)20-2/h5-10,15,18H,4H2,1-3H3
InChIKeyIRHGRWAYWJDERM-UHFFFAOYSA-N
MW306.79 g/mol
LogP3.45
Rot. Bonds6

About N-[(4-chloro-3-methoxyphenyl)-(2-methoxy-3-pyridinyl)methyl]ethanamine

N-[(4-chloro-3-methoxyphenyl)-(2-methoxy-3-pyridinyl)methyl]ethanamine (PubChem CID 105164557) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is N-[(4-chloro-3-methoxyphenyl)-(2-methoxy-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-chloro-3-methoxyphenyl)-(2-methoxy-3-pyridinyl)methyl]ethanamine
PubChem CID105164557
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC NameN-[(4-chloro-3-methoxyphenyl)-(2-methoxy-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)c(OC)c1)c1cccnc1OC
InChIInChI=1S/C16H19ClN2O2/c1-4-18-15(12-6-5-9-19-16(12)21-3)11-7-8-13(17)14(10-11)20-2/h5-10,15,18H,4H2,1-3H3
InChIKeyIRHGRWAYWJDERM-UHFFFAOYSA-N
XLogP3.45
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chloro-3-methoxyphenyl)-(2-methyl-3-pyridinyl)methyl]ethanamine
CID 105164579
N-[(4-chloro-3-methoxyphenyl)-(3-ethyl-2-pyridinyl)methyl]ethanamine
CID 82732783
N-[(3,4-difluorophenyl)-(2-methoxy-3-pyridinyl)methyl]ethanamine
CID 115605106
N-[(4-chloro-3-methoxyphenyl)-(2,3-dimethylphenyl)methyl]ethanamine
CID 105006810
N-[(2-methoxy-3-pyridinyl)-(4-propylphenyl)methyl]ethanamine
CID 115605108
N-[(4-chloro-3-methoxyphenyl)-(2-iodophenyl)methyl]ethanamine
CID 105006994
N-[(3-chloro-4-methylphenyl)-(2-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 107561571
N-[(4-chloro-3-methoxyphenyl)-(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
CID 105164576
N-[(1-ethylpyrazol-4-yl)-(2-methoxy-3-pyridinyl)methyl]ethanamine
CID 105109075
N-[(4-chloro-3-methoxyphenyl)-(2-methylphenyl)methyl]propan-1-amine
CID 79700808
N-[(4-chloro-3-methoxyphenyl)-(3-methoxythiophen-2-yl)methyl]ethanamine
CID 105007145
N-[(2-methoxy-3-pyridinyl)-(3-methylphenyl)methyl]propan-1-amine
CID 105090915

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-3-methoxyphenyl)-(2-methoxy-3-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(4-chloro-3-methoxyphenyl)-(2-methoxy-3-pyridinyl)methyl]ethanamine (CID 105164557) is N-[(4-chloro-3-methoxyphenyl)-(2-methoxy-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-chloro-3-methoxyphenyl)-(2-methoxy-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(4-chloro-3-methoxyphenyl)-(2-methoxy-3-pyridinyl)methyl]ethanamine is CCNC(c1ccc(Cl)c(OC)c1)c1cccnc1OC.
What is the InChIKey of N-[(4-chloro-3-methoxyphenyl)-(2-methoxy-3-pyridinyl)methyl]ethanamine?
The InChIKey is IRHGRWAYWJDERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c1-4-18-15(12-6-5-9-19-16(12)21-3)11-7-8-13(17)14(10-11)20-2/h5-10,15,18H,4H2,1-3H3.
What are the key properties of N-[(4-chloro-3-methoxyphenyl)-(2-methoxy-3-pyridinyl)methyl]ethanamine?
N-[(4-chloro-3-methoxyphenyl)-(2-methoxy-3-pyridinyl)methyl]ethanamine has a molecular weight of 306.79 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-3-methoxyphenyl)-(2-methoxy-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 105164557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).