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

C17H21ClN2 — CID 107097272

IUPACN-[1-(3-chloro-2-methylphenyl)-2-pyridin-4-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccncc1)c1cccc(Cl)c1C
InChIInChI=1S/C17H21ClN2/c1-3-9-20-17(12-14-7-10-19-11-8-14)15-5-4-6-16(18)13(15)2/h4-8,10-11,17,20H,3,9,12H2,1-2H3
InChIKeyFZJZHPIGKAOKQF-UHFFFAOYSA-N
MW288.82 g/mol
LogP4.33
Rot. Bonds6

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

N-[1-(3-chloro-2-methylphenyl)-2-pyridin-4-ylethyl]propan-1-amine (PubChem CID 107097272) has the molecular formula C17H21ClN2 and a molecular weight of 288.82 g/mol. Its IUPAC name is N-[1-(3-chloro-2-methylphenyl)-2-pyridin-4-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-chloro-2-methylphenyl)-2-pyridin-4-ylethyl]propan-1-amine
PubChem CID107097272
Molecular FormulaC17H21ClN2
Molecular Weight288.82 g/mol
Exact Mass288.14
IUPAC NameN-[1-(3-chloro-2-methylphenyl)-2-pyridin-4-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccncc1)c1cccc(Cl)c1C
InChIInChI=1S/C17H21ClN2/c1-3-9-20-17(12-14-7-10-19-11-8-14)15-5-4-6-16(18)13(15)2/h4-8,10-11,17,20H,3,9,12H2,1-2H3
InChIKeyFZJZHPIGKAOKQF-UHFFFAOYSA-N
XLogP4.33
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,5-dichlorophenyl)-2-pyridin-4-ylethyl]propan-1-amine
CID 62791433
N-[1-(3-chloro-2-methylphenyl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
CID 107102137
N-[2-(4-chlorophenyl)-1-(2,3-dichlorophenyl)ethyl]propan-1-amine
CID 63412651
N-[1-(3-chloro-2-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 107103017
N-[1-(2-chlorophenyl)-2-phenylethyl]propan-1-amine
CID 63412426
N-[1-(2-methoxyphenyl)-2-pyridin-4-ylethyl]propan-1-amine
CID 62551587
N-[1-(3-chloro-2-methylphenyl)-2-(5-chlorothiophen-2-yl)ethyl]propan-1-amine
CID 107102196
N-[(2,3-dichlorophenyl)-pyridin-4-ylmethyl]propan-1-amine
CID 62790171
1-(3-chloro-2-methylphenyl)-3-ethyl-N-propylpentan-1-amine
CID 107103011
1-(3-chloro-2-methylphenyl)-3-phenyl-N-propylpropan-1-amine
CID 107102031
1-(3-chloro-2-methylphenyl)-N-propylpent-4-yn-1-amine
CID 107102355
1-(2,3-dichlorophenyl)-N-propylpropan-1-amine
CID 62790875

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-2-methylphenyl)-2-pyridin-4-ylethyl]propan-1-amine?
The IUPAC name of N-[1-(3-chloro-2-methylphenyl)-2-pyridin-4-ylethyl]propan-1-amine (CID 107097272) is N-[1-(3-chloro-2-methylphenyl)-2-pyridin-4-ylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-chloro-2-methylphenyl)-2-pyridin-4-ylethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-chloro-2-methylphenyl)-2-pyridin-4-ylethyl]propan-1-amine is CCCNC(Cc1ccncc1)c1cccc(Cl)c1C.
What is the InChIKey of N-[1-(3-chloro-2-methylphenyl)-2-pyridin-4-ylethyl]propan-1-amine?
The InChIKey is FZJZHPIGKAOKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2/c1-3-9-20-17(12-14-7-10-19-11-8-14)15-5-4-6-16(18)13(15)2/h4-8,10-11,17,20H,3,9,12H2,1-2H3.
What are the key properties of N-[1-(3-chloro-2-methylphenyl)-2-pyridin-4-ylethyl]propan-1-amine?
N-[1-(3-chloro-2-methylphenyl)-2-pyridin-4-ylethyl]propan-1-amine has a molecular weight of 288.82 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-2-methylphenyl)-2-pyridin-4-ylethyl]propan-1-amine is sourced from PubChem (CID 107097272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).