N-[1-(4-chloro-3-methoxyphenyl)-2-pyridin-3-ylethyl]propan-1-amine

C17H21ClN2O — CID 79700355

IUPACN-[1-(4-chloro-3-methoxyphenyl)-2-pyridin-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1cccnc1)c1ccc(Cl)c(OC)c1
InChIInChI=1S/C17H21ClN2O/c1-3-8-20-16(10-13-5-4-9-19-12-13)14-6-7-15(18)17(11-14)21-2/h4-7,9,11-12,16,20H,3,8,10H2,1-2H3
InChIKeyTXWIHRAHGCENFF-UHFFFAOYSA-N
MW304.82 g/mol
LogP4.03
Rot. Bonds7

About N-[1-(4-chloro-3-methoxyphenyl)-2-pyridin-3-ylethyl]propan-1-amine

N-[1-(4-chloro-3-methoxyphenyl)-2-pyridin-3-ylethyl]propan-1-amine (PubChem CID 79700355) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is N-[1-(4-chloro-3-methoxyphenyl)-2-pyridin-3-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-chloro-3-methoxyphenyl)-2-pyridin-3-ylethyl]propan-1-amine
PubChem CID79700355
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC NameN-[1-(4-chloro-3-methoxyphenyl)-2-pyridin-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1cccnc1)c1ccc(Cl)c(OC)c1
InChIInChI=1S/C17H21ClN2O/c1-3-8-20-16(10-13-5-4-9-19-12-13)14-6-7-15(18)17(11-14)21-2/h4-7,9,11-12,16,20H,3,8,10H2,1-2H3
InChIKeyTXWIHRAHGCENFF-UHFFFAOYSA-N
XLogP4.03
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-chloro-4-methylphenyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 105034419
1-(4-chloro-3-methoxyphenyl)-N-ethyl-3-pyridin-3-ylpropan-1-amine
CID 105164610
N-(2-pyridin-3-yl-1-pyridin-4-ylethyl)propan-1-amine
CID 104736220
N-[1-(2,6-dimethyl-4-pyridinyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 107504138
N-[1-(3,5-difluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 62791253
N-[1-(6-methoxypyridazin-3-yl)-2-pyridin-3-ylethyl]propan-1-amine
CID 103374712
N-[1-(4-methoxy-1-methylpyrazol-5-yl)-2-pyridin-3-ylethyl]propan-1-amine
CID 114649519
N-[1-(4-chloro-3-methoxyphenyl)-2-propan-2-ylsulfanylethyl]propan-1-amine
CID 79698032
N-[1-(furan-3-yl)-2-pyridin-3-ylethyl]propan-1-amine
CID 63949988
N-[2-(4-methoxyphenyl)-1-pyridin-3-ylethyl]propan-1-amine
CID 61064118
1-(4-chloro-3-methoxyphenyl)-N-methyl-2-pyridin-4-ylethanamine
CID 79697191
N-[2-(5-bromo-3-pyridinyl)-1-(3,4-dichlorophenyl)ethyl]propan-1-amine
CID 104803602

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chloro-3-methoxyphenyl)-2-pyridin-3-ylethyl]propan-1-amine?
The IUPAC name of N-[1-(4-chloro-3-methoxyphenyl)-2-pyridin-3-ylethyl]propan-1-amine (CID 79700355) is N-[1-(4-chloro-3-methoxyphenyl)-2-pyridin-3-ylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-chloro-3-methoxyphenyl)-2-pyridin-3-ylethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-chloro-3-methoxyphenyl)-2-pyridin-3-ylethyl]propan-1-amine is CCCNC(Cc1cccnc1)c1ccc(Cl)c(OC)c1.
What is the InChIKey of N-[1-(4-chloro-3-methoxyphenyl)-2-pyridin-3-ylethyl]propan-1-amine?
The InChIKey is TXWIHRAHGCENFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-3-8-20-16(10-13-5-4-9-19-12-13)14-6-7-15(18)17(11-14)21-2/h4-7,9,11-12,16,20H,3,8,10H2,1-2H3.
What are the key properties of N-[1-(4-chloro-3-methoxyphenyl)-2-pyridin-3-ylethyl]propan-1-amine?
N-[1-(4-chloro-3-methoxyphenyl)-2-pyridin-3-ylethyl]propan-1-amine has a molecular weight of 304.82 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chloro-3-methoxyphenyl)-2-pyridin-3-ylethyl]propan-1-amine is sourced from PubChem (CID 79700355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).