N-[1-(3-chloro-4-pyridinyl)-2-(2-methoxyphenyl)ethyl]propan-1-amine

C17H21ClN2O — CID 105107654

IUPACN-[1-(3-chloro-4-pyridinyl)-2-(2-methoxyphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1OC)c1ccncc1Cl
InChIInChI=1S/C17H21ClN2O/c1-3-9-20-16(14-8-10-19-12-15(14)18)11-13-6-4-5-7-17(13)21-2/h4-8,10,12,16,20H,3,9,11H2,1-2H3
InChIKeyZJLBRASHYYLOGR-UHFFFAOYSA-N
MW304.82 g/mol
LogP4.03
Rot. Bonds7

About N-[1-(3-chloro-4-pyridinyl)-2-(2-methoxyphenyl)ethyl]propan-1-amine

N-[1-(3-chloro-4-pyridinyl)-2-(2-methoxyphenyl)ethyl]propan-1-amine (PubChem CID 105107654) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is N-[1-(3-chloro-4-pyridinyl)-2-(2-methoxyphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-chloro-4-pyridinyl)-2-(2-methoxyphenyl)ethyl]propan-1-amine
PubChem CID105107654
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC NameN-[1-(3-chloro-4-pyridinyl)-2-(2-methoxyphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1OC)c1ccncc1Cl
InChIInChI=1S/C17H21ClN2O/c1-3-9-20-16(14-8-10-19-12-15(14)18)11-13-6-4-5-7-17(13)21-2/h4-8,10,12,16,20H,3,9,11H2,1-2H3
InChIKeyZJLBRASHYYLOGR-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-[2-(2-chlorophenyl)-1-(3-chloro-4-pyridinyl)ethyl]propan-1-amine
CID 105096539
N-[1-(1,5-dimethylpyrazol-4-yl)-2-(2-methoxyphenyl)ethyl]propan-1-amine
CID 105107339
1-(3-chloro-4-pyridinyl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 105091774
N-[1-(2-methoxyphenyl)-2-pyridin-4-ylethyl]propan-1-amine
CID 62551587
N-[2-(2-methoxyphenyl)-1-(3-methylimidazol-4-yl)ethyl]propan-1-amine
CID 82903206
N-[2-(2-chloro-5-fluorophenyl)-1-(3-fluoro-4-pyridinyl)ethyl]propan-1-amine
CID 102619227
[1-(3-chloro-4-pyridinyl)-3-(2-methoxyphenyl)propan-2-yl]hydrazine
CID 105205014
N-[2-(2-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)ethyl]propan-1-amine
CID 105107566
1-(3-chloro-4-pyridinyl)-4-phenyl-N-propylbutan-1-amine
CID 105139865
2-(2-chlorophenyl)-1-(3-chloro-4-pyridinyl)-N-methylethanamine
CID 105096581
N-[2-(4-chloro-3-fluorophenyl)-1-(3-chloro-4-pyridinyl)ethyl]propan-1-amine
CID 107892473
N-[(3-chloro-4-pyridinyl)-(2,3-dichlorophenyl)methyl]propan-1-amine
CID 105141874

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-4-pyridinyl)-2-(2-methoxyphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(3-chloro-4-pyridinyl)-2-(2-methoxyphenyl)ethyl]propan-1-amine (CID 105107654) is N-[1-(3-chloro-4-pyridinyl)-2-(2-methoxyphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-chloro-4-pyridinyl)-2-(2-methoxyphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-chloro-4-pyridinyl)-2-(2-methoxyphenyl)ethyl]propan-1-amine is CCCNC(Cc1ccccc1OC)c1ccncc1Cl.
What is the InChIKey of N-[1-(3-chloro-4-pyridinyl)-2-(2-methoxyphenyl)ethyl]propan-1-amine?
The InChIKey is ZJLBRASHYYLOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-3-9-20-16(14-8-10-19-12-15(14)18)11-13-6-4-5-7-17(13)21-2/h4-8,10,12,16,20H,3,9,11H2,1-2H3.
What are the key properties of N-[1-(3-chloro-4-pyridinyl)-2-(2-methoxyphenyl)ethyl]propan-1-amine?
N-[1-(3-chloro-4-pyridinyl)-2-(2-methoxyphenyl)ethyl]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-(3-chloro-4-pyridinyl)-2-(2-methoxyphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 105107654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).