1-(4-chlorophenyl)-N-methyl-3-pyridin-4-ylpropan-2-amine

C15H17ClN2 — CID 62553099

IUPAC1-(4-chlorophenyl)-N-methyl-3-pyridin-4-ylpropan-2-amine
SMILESCNC(Cc1ccncc1)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN2/c1-17-15(11-13-6-8-18-9-7-13)10-12-2-4-14(16)5-3-12/h2-9,15,17H,10-11H2,1H3
InChIKeyPNLGCRKJHCAGSW-UHFFFAOYSA-N
MW260.77 g/mol
LogP3.11
Rot. Bonds5

About 1-(4-chlorophenyl)-N-methyl-3-pyridin-4-ylpropan-2-amine

1-(4-chlorophenyl)-N-methyl-3-pyridin-4-ylpropan-2-amine (PubChem CID 62553099) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-methyl-3-pyridin-4-ylpropan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-methyl-3-pyridin-4-ylpropan-2-amine
PubChem CID62553099
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC Name1-(4-chlorophenyl)-N-methyl-3-pyridin-4-ylpropan-2-amine
SMILESCNC(Cc1ccncc1)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN2/c1-17-15(11-13-6-8-18-9-7-13)10-12-2-4-14(16)5-3-12/h2-9,15,17H,10-11H2,1H3
InChIKeyPNLGCRKJHCAGSW-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-3-fluorophenyl)-N-methyl-3-pyridin-4-ylpropan-2-amine
CID 107884648
1-(4-fluorophenyl)-N-methyl-3-pyridin-4-ylpropan-2-amine
CID 62553272
2-(4-chlorophenyl)-N-methyl-1-pyridin-4-ylethanamine
CID 60819195
1-(3-chlorophenyl)-3-(4-chlorophenyl)-N-methylpropan-2-amine
CID 60820361
1-(4-chlorophenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-2-amine
CID 79752787
1-(4-chlorophenyl)-N-methylpent-4-yn-2-amine
CID 62235146
N-methyl-1-pyridin-4-ylhex-4-yn-2-amine
CID 62551577
N-methyl-1-propan-2-yloxy-3-pyridin-4-ylpropan-2-amine
CID 79573917
1-(4-chlorophenyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 105085290
N-methyl-1-pyridin-4-yldecan-2-amine
CID 62605644
1-(5-chloro-2-fluorophenyl)-N-methyl-4-pyridin-4-ylbutan-2-amine
CID 103053100
1-(4-chlorophenyl)-N,6,6-trimethylheptan-2-amine
CID 114209914

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-methyl-3-pyridin-4-ylpropan-2-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-methyl-3-pyridin-4-ylpropan-2-amine (CID 62553099) is 1-(4-chlorophenyl)-N-methyl-3-pyridin-4-ylpropan-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-methyl-3-pyridin-4-ylpropan-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-methyl-3-pyridin-4-ylpropan-2-amine is CNC(Cc1ccncc1)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-methyl-3-pyridin-4-ylpropan-2-amine?
The InChIKey is PNLGCRKJHCAGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2/c1-17-15(11-13-6-8-18-9-7-13)10-12-2-4-14(16)5-3-12/h2-9,15,17H,10-11H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-methyl-3-pyridin-4-ylpropan-2-amine?
1-(4-chlorophenyl)-N-methyl-3-pyridin-4-ylpropan-2-amine has a molecular weight of 260.77 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-methyl-3-pyridin-4-ylpropan-2-amine is sourced from PubChem (CID 62553099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).