1-chloro-2-phenyl-N-(pyridin-3-ylmethyl)propan-2-amine

C15H17ClN2 — CID 105059503

IUPAC1-chloro-2-phenyl-N-(pyridin-3-ylmethyl)propan-2-amine
SMILESCC(CCl)(NCc1cccnc1)c1ccccc1
InChIInChI=1S/C15H17ClN2/c1-15(12-16,14-7-3-2-4-8-14)18-11-13-6-5-9-17-10-13/h2-10,18H,11-12H2,1H3
InChIKeyZACUQZDODVQZJU-UHFFFAOYSA-N
MW260.77 g/mol
LogP3.33
Rot. Bonds5

About 1-chloro-2-phenyl-N-(pyridin-3-ylmethyl)propan-2-amine

1-chloro-2-phenyl-N-(pyridin-3-ylmethyl)propan-2-amine (PubChem CID 105059503) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is 1-chloro-2-phenyl-N-(pyridin-3-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name1-chloro-2-phenyl-N-(pyridin-3-ylmethyl)propan-2-amine
PubChem CID105059503
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC Name1-chloro-2-phenyl-N-(pyridin-3-ylmethyl)propan-2-amine
SMILESCC(CCl)(NCc1cccnc1)c1ccccc1
InChIInChI=1S/C15H17ClN2/c1-15(12-16,14-7-3-2-4-8-14)18-11-13-6-5-9-17-10-13/h2-10,18H,11-12H2,1H3
InChIKeyZACUQZDODVQZJU-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-4-ylmethyl)propan-2-amine
CID 159685342
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2,4,4-trimethyl-N-(pyridin-3-ylmethyl)pentan-2-amine;hydrochloride
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3-methoxy-2-methyl-2-(pyridin-3-ylmethylamino)propanoic acid
CID 82239881
N,3-dimethyl-3-phenyl-1-pyridin-3-ylbutan-2-amine
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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-phenyl-N-(pyridin-3-ylmethyl)propan-2-amine?
The IUPAC name of 1-chloro-2-phenyl-N-(pyridin-3-ylmethyl)propan-2-amine (CID 105059503) is 1-chloro-2-phenyl-N-(pyridin-3-ylmethyl)propan-2-amine.
What is the SMILES notation for 1-chloro-2-phenyl-N-(pyridin-3-ylmethyl)propan-2-amine?
The canonical SMILES for 1-chloro-2-phenyl-N-(pyridin-3-ylmethyl)propan-2-amine is CC(CCl)(NCc1cccnc1)c1ccccc1.
What is the InChIKey of 1-chloro-2-phenyl-N-(pyridin-3-ylmethyl)propan-2-amine?
The InChIKey is ZACUQZDODVQZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2/c1-15(12-16,14-7-3-2-4-8-14)18-11-13-6-5-9-17-10-13/h2-10,18H,11-12H2,1H3.
What are the key properties of 1-chloro-2-phenyl-N-(pyridin-3-ylmethyl)propan-2-amine?
1-chloro-2-phenyl-N-(pyridin-3-ylmethyl)propan-2-amine has a molecular weight of 260.77 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-phenyl-N-(pyridin-3-ylmethyl)propan-2-amine is sourced from PubChem (CID 105059503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).