1-(2-chlorophenyl)-N-methyl-3-pyridin-3-ylpropan-1-amine

C15H17ClN2 — CID 105099694

IUPAC1-(2-chlorophenyl)-N-methyl-3-pyridin-3-ylpropan-1-amine
SMILESCNC(CCc1cccnc1)c1ccccc1Cl
InChIInChI=1S/C15H17ClN2/c1-17-15(13-6-2-3-7-14(13)16)9-8-12-5-4-10-18-11-12/h2-7,10-11,15,17H,8-9H2,1H3
InChIKeyWJCALWCXTCBNJD-UHFFFAOYSA-N
MW260.77 g/mol
LogP3.63
Rot. Bonds5

About 1-(2-chlorophenyl)-N-methyl-3-pyridin-3-ylpropan-1-amine

1-(2-chlorophenyl)-N-methyl-3-pyridin-3-ylpropan-1-amine (PubChem CID 105099694) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-methyl-3-pyridin-3-ylpropan-1-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-methyl-3-pyridin-3-ylpropan-1-amine
PubChem CID105099694
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC Name1-(2-chlorophenyl)-N-methyl-3-pyridin-3-ylpropan-1-amine
SMILESCNC(CCc1cccnc1)c1ccccc1Cl
InChIInChI=1S/C15H17ClN2/c1-17-15(13-6-2-3-7-14(13)16)9-8-12-5-4-10-18-11-12/h2-7,10-11,15,17H,8-9H2,1H3
InChIKeyWJCALWCXTCBNJD-UHFFFAOYSA-N
XLogP3.63
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dichlorophenyl)-N-methyl-3-pyridin-3-ylpropan-1-amine
CID 105076807
1-(2,3-dichlorophenyl)-N-propyl-3-pyridin-3-ylpropan-1-amine
CID 105141906
N-methyl-3-pyridin-3-yl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine
CID 102709971
1-(2,3-dichlorophenyl)-N-methyl-3-phenylpropan-1-amine
CID 63417262
1-(2-chlorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 65446090
N-methyl-1-(3-methylphenyl)-3-pyridin-3-ylpropan-1-amine
CID 105090642
1-(4-tert-butylphenyl)-N-methyl-3-pyridin-3-ylpropan-1-amine
CID 105140459
1-(2-chlorophenyl)-N-methylbutan-1-amine
CID 61030154
2-(2-chlorophenyl)-1-(3-chloro-4-pyridinyl)-N-methylethanamine
CID 105096581
N-methyl-1-(5-methylthiophen-2-yl)-3-pyridin-3-ylpropan-1-amine
CID 105162051
1-(2-fluoro-4-methoxyphenyl)-N-methyl-3-pyridin-3-ylpropan-1-amine
CID 103397402
N-methyl-6-phenyl-1-pyridin-3-ylhexan-3-amine
CID 105139816

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-methyl-3-pyridin-3-ylpropan-1-amine?
The IUPAC name of 1-(2-chlorophenyl)-N-methyl-3-pyridin-3-ylpropan-1-amine (CID 105099694) is 1-(2-chlorophenyl)-N-methyl-3-pyridin-3-ylpropan-1-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-methyl-3-pyridin-3-ylpropan-1-amine?
The canonical SMILES for 1-(2-chlorophenyl)-N-methyl-3-pyridin-3-ylpropan-1-amine is CNC(CCc1cccnc1)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-methyl-3-pyridin-3-ylpropan-1-amine?
The InChIKey is WJCALWCXTCBNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2/c1-17-15(13-6-2-3-7-14(13)16)9-8-12-5-4-10-18-11-12/h2-7,10-11,15,17H,8-9H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-N-methyl-3-pyridin-3-ylpropan-1-amine?
1-(2-chlorophenyl)-N-methyl-3-pyridin-3-ylpropan-1-amine has a molecular weight of 260.77 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-methyl-3-pyridin-3-ylpropan-1-amine is sourced from PubChem (CID 105099694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).