3-(3-chloro-3-phenylpropyl)pyridin-4-amine

C14H15ClN2 — CID 64507336

IUPAC3-(3-chloro-3-phenylpropyl)pyridin-4-amine
SMILESNc1ccncc1CCC(Cl)c1ccccc1
InChIInChI=1S/C14H15ClN2/c15-13(11-4-2-1-3-5-11)7-6-12-10-17-9-8-14(12)16/h1-5,8-10,13H,6-7H2,(H2,16,17)
InChIKeyANFXJMOXIQRVCZ-UHFFFAOYSA-N
MW246.74 g/mol
LogP3.58
Rot. Bonds4

About 3-(3-chloro-3-phenylpropyl)pyridin-4-amine

3-(3-chloro-3-phenylpropyl)pyridin-4-amine (PubChem CID 64507336) has the molecular formula C14H15ClN2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 3-(3-chloro-3-phenylpropyl)pyridin-4-amine.

Molecular Properties

Compound Name3-(3-chloro-3-phenylpropyl)pyridin-4-amine
PubChem CID64507336
Molecular FormulaC14H15ClN2
Molecular Weight246.74 g/mol
Exact Mass246.09
IUPAC Name3-(3-chloro-3-phenylpropyl)pyridin-4-amine
SMILESNc1ccncc1CCC(Cl)c1ccccc1
InChIInChI=1S/C14H15ClN2/c15-13(11-4-2-1-3-5-11)7-6-12-10-17-9-8-14(12)16/h1-5,8-10,13H,6-7H2,(H2,16,17)
InChIKeyANFXJMOXIQRVCZ-UHFFFAOYSA-N
XLogP3.58
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 53.58
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-(3-chloro-3-phenylpropyl)pyrazine
CID 64508691
3-(4-amino-3-pyridinyl)-2-phenylpropanoic acid
CID 81009067
3-(2-chlorobutyl)pyridin-4-amine
CID 130480258
3-(phenylsulfanylmethyl)pyridin-4-amine
CID 105470275
3-(4-amino-3-pyridinyl)-1-methoxy-1-phenylpropan-2-ol
CID 116756787
6-(4-amino-3-pyridinyl)-2-methylhexan-3-ol
CID 64515366
3-(3-bromo-3-phenylpropyl)-4-methylpyridine
CID 66273189
3-(4-chloro-2-methylpentyl)pyridin-4-amine
CID 64721238
3-(4-amino-3-pyridinyl)-1-ethoxy-1-phenylpropan-2-one
CID 116751778
3-(bromomethyl)pyridin-4-amine
CID 18674607
3-(5-methoxypentyl)pyridin-4-amine
CID 104649837
4-bromo-2-chloro-1-(3-chloro-3-phenylpropyl)benzene
CID 113471429

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-3-phenylpropyl)pyridin-4-amine?
The IUPAC name of 3-(3-chloro-3-phenylpropyl)pyridin-4-amine (CID 64507336) is 3-(3-chloro-3-phenylpropyl)pyridin-4-amine.
What is the SMILES notation for 3-(3-chloro-3-phenylpropyl)pyridin-4-amine?
The canonical SMILES for 3-(3-chloro-3-phenylpropyl)pyridin-4-amine is Nc1ccncc1CCC(Cl)c1ccccc1.
What is the InChIKey of 3-(3-chloro-3-phenylpropyl)pyridin-4-amine?
The InChIKey is ANFXJMOXIQRVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2/c15-13(11-4-2-1-3-5-11)7-6-12-10-17-9-8-14(12)16/h1-5,8-10,13H,6-7H2,(H2,16,17).
What are the key properties of 3-(3-chloro-3-phenylpropyl)pyridin-4-amine?
3-(3-chloro-3-phenylpropyl)pyridin-4-amine has a molecular weight of 246.74 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-3-phenylpropyl)pyridin-4-amine is sourced from PubChem (CID 64507336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).