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

C17H21ClN2 — CID 105034419

IUPACN-[1-(3-chloro-4-methylphenyl)-2-pyridin-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1cccnc1)c1ccc(C)c(Cl)c1
InChIInChI=1S/C17H21ClN2/c1-3-8-20-17(10-14-5-4-9-19-12-14)15-7-6-13(2)16(18)11-15/h4-7,9,11-12,17,20H,3,8,10H2,1-2H3
InChIKeyUKNBBKBRMVUXLC-UHFFFAOYSA-N
MW288.82 g/mol
LogP4.33
Rot. Bonds6

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

N-[1-(3-chloro-4-methylphenyl)-2-pyridin-3-ylethyl]propan-1-amine (PubChem CID 105034419) has the molecular formula C17H21ClN2 and a molecular weight of 288.82 g/mol. Its IUPAC name is N-[1-(3-chloro-4-methylphenyl)-2-pyridin-3-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-chloro-4-methylphenyl)-2-pyridin-3-ylethyl]propan-1-amine
PubChem CID105034419
Molecular FormulaC17H21ClN2
Molecular Weight288.82 g/mol
Exact Mass288.14
IUPAC NameN-[1-(3-chloro-4-methylphenyl)-2-pyridin-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1cccnc1)c1ccc(C)c(Cl)c1
InChIInChI=1S/C17H21ClN2/c1-3-8-20-17(10-14-5-4-9-19-12-14)15-7-6-13(2)16(18)11-15/h4-7,9,11-12,17,20H,3,8,10H2,1-2H3
InChIKeyUKNBBKBRMVUXLC-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-(3-chloro-4-methylphenyl)-2-phenylethyl]propan-1-amine
CID 63527074
N-[1-(4-chloro-3-methoxyphenyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 79700355
N-[1-(2,6-dimethyl-4-pyridinyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 107504138
N-[1-(3-chloro-4-methylphenyl)-2-(3-chlorophenyl)ethyl]propan-1-amine
CID 63526752
N-(2-pyridin-3-yl-1-pyridin-4-ylethyl)propan-1-amine
CID 104736220
N-[1-(3,5-difluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 62791253
N-[1-(furan-3-yl)-2-pyridin-3-ylethyl]propan-1-amine
CID 63949988
N-[1-(3,4-dichlorophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 63414967
1-(3-chloro-4-methylphenyl)-N-ethyl-2-phenylethanamine
CID 55224707
N-[2-(5-bromo-3-pyridinyl)-1-(3,4-dichlorophenyl)ethyl]propan-1-amine
CID 104803602
N-[1-(3-bromo-5-fluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 104736468
N-ethyl-1-(4-methylphenyl)-2-pyridin-3-ylethanamine
CID 62551907

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-4-methylphenyl)-2-pyridin-3-ylethyl]propan-1-amine?
The IUPAC name of N-[1-(3-chloro-4-methylphenyl)-2-pyridin-3-ylethyl]propan-1-amine (CID 105034419) is N-[1-(3-chloro-4-methylphenyl)-2-pyridin-3-ylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-chloro-4-methylphenyl)-2-pyridin-3-ylethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-chloro-4-methylphenyl)-2-pyridin-3-ylethyl]propan-1-amine is CCCNC(Cc1cccnc1)c1ccc(C)c(Cl)c1.
What is the InChIKey of N-[1-(3-chloro-4-methylphenyl)-2-pyridin-3-ylethyl]propan-1-amine?
The InChIKey is UKNBBKBRMVUXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2/c1-3-8-20-17(10-14-5-4-9-19-12-14)15-7-6-13(2)16(18)11-15/h4-7,9,11-12,17,20H,3,8,10H2,1-2H3.
What are the key properties of N-[1-(3-chloro-4-methylphenyl)-2-pyridin-3-ylethyl]propan-1-amine?
N-[1-(3-chloro-4-methylphenyl)-2-pyridin-3-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-4-methylphenyl)-2-pyridin-3-ylethyl]propan-1-amine is sourced from PubChem (CID 105034419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).