1-chloro-N-[(5-phenyl-3-pyridinyl)methyl]propan-2-amine

C15H17ClN2 — CID 70078676

IUPAC1-chloro-N-[(5-phenyl-3-pyridinyl)methyl]propan-2-amine
SMILESCC(CCl)NCc1cncc(-c2ccccc2)c1
InChIInChI=1S/C15H17ClN2/c1-12(8-16)18-10-13-7-15(11-17-9-13)14-5-3-2-4-6-14/h2-7,9,11-12,18H,8,10H2,1H3
InChIKeyVSICOHCBYZAAHM-UHFFFAOYSA-N
MW260.77 g/mol
LogP3.47
Rot. Bonds5

About 1-chloro-N-[(5-phenyl-3-pyridinyl)methyl]propan-2-amine

1-chloro-N-[(5-phenyl-3-pyridinyl)methyl]propan-2-amine (PubChem CID 70078676) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is 1-chloro-N-[(5-phenyl-3-pyridinyl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-chloro-N-[(5-phenyl-3-pyridinyl)methyl]propan-2-amine
PubChem CID70078676
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC Name1-chloro-N-[(5-phenyl-3-pyridinyl)methyl]propan-2-amine
SMILESCC(CCl)NCc1cncc(-c2ccccc2)c1
InChIInChI=1S/C15H17ClN2/c1-12(8-16)18-10-13-7-15(11-17-9-13)14-5-3-2-4-6-14/h2-7,9,11-12,18H,8,10H2,1H3
InChIKeyVSICOHCBYZAAHM-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
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

1-chloro-N-[(3-chlorophenyl)methyl]propan-2-amine
CID 65025963
N-methyl-1-[5-[3-(2-methylpropyl)phenyl]-3-pyridinyl]methanamine
CID 116545401
N-[[3-(5-methyl-3-pyridinyl)phenyl]methyl]propan-2-amine
CID 113297313
N-[(5-methyl-3-pyridinyl)methyl]-1-pyridin-2-ylethanamine
CID 113349294
1-chloro-N-(thiophen-3-ylmethyl)propan-2-amine
CID 65025507
1-(4-chlorophenyl)-N-[(4-phenylphenyl)methyl]propan-2-amine
CID 67641931
1-chloro-N-(2-phenylethyl)propan-2-amine
CID 65025735
(2S)-N-benzyl-4-chlorobutan-2-amine
CID 10776031
N-benzyl-4-chlorobutan-2-amine
CID 85264317
4-chloro-N-(pyridin-3-ylmethyl)butan-2-amine
CID 83187736
1-[5-(3-ethylphenyl)-3-pyridinyl]-N-methylmethanamine
CID 113469756
1-chloro-N-[(3-methoxyphenyl)methyl]propan-2-amine
CID 65025454

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-[(5-phenyl-3-pyridinyl)methyl]propan-2-amine?
The IUPAC name of 1-chloro-N-[(5-phenyl-3-pyridinyl)methyl]propan-2-amine (CID 70078676) is 1-chloro-N-[(5-phenyl-3-pyridinyl)methyl]propan-2-amine.
What is the SMILES notation for 1-chloro-N-[(5-phenyl-3-pyridinyl)methyl]propan-2-amine?
The canonical SMILES for 1-chloro-N-[(5-phenyl-3-pyridinyl)methyl]propan-2-amine is CC(CCl)NCc1cncc(-c2ccccc2)c1.
What is the InChIKey of 1-chloro-N-[(5-phenyl-3-pyridinyl)methyl]propan-2-amine?
The InChIKey is VSICOHCBYZAAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2/c1-12(8-16)18-10-13-7-15(11-17-9-13)14-5-3-2-4-6-14/h2-7,9,11-12,18H,8,10H2,1H3.
What are the key properties of 1-chloro-N-[(5-phenyl-3-pyridinyl)methyl]propan-2-amine?
1-chloro-N-[(5-phenyl-3-pyridinyl)methyl]propan-2-amine has a molecular weight of 260.77 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-[(5-phenyl-3-pyridinyl)methyl]propan-2-amine is sourced from PubChem (CID 70078676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).