2-(3-phenylpropyl)-2,3,4,5-tetrahydropyridin-6-amine;hydrochloride

C14H21ClN2 — CID 131721545

IUPAC2-(3-phenylpropyl)-2,3,4,5-tetrahydropyridin-6-amine;hydrochloride
SMILESCl.NC1=NC(CCCc2ccccc2)CCC1
InChIInChI=1S/C14H20N2.ClH/c15-14-11-5-10-13(16-14)9-4-8-12-6-2-1-3-7-12;/h1-3,6-7,13H,4-5,8-11H2,(H2,15,16);1H
InChIKeyAJJRNJDBWVGBGS-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.34
Rot. Bonds4

About 2-(3-phenylpropyl)-2,3,4,5-tetrahydropyridin-6-amine;hydrochloride

2-(3-phenylpropyl)-2,3,4,5-tetrahydropyridin-6-amine;hydrochloride (PubChem CID 131721545) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 2-(3-phenylpropyl)-2,3,4,5-tetrahydropyridin-6-amine;hydrochloride.

Molecular Properties

Compound Name2-(3-phenylpropyl)-2,3,4,5-tetrahydropyridin-6-amine;hydrochloride
PubChem CID131721545
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name2-(3-phenylpropyl)-2,3,4,5-tetrahydropyridin-6-amine;hydrochloride
SMILESCl.NC1=NC(CCCc2ccccc2)CCC1
InChIInChI=1S/C14H20N2.ClH/c15-14-11-5-10-13(16-14)9-4-8-12-6-2-1-3-7-12;/h1-3,6-7,13H,4-5,8-11H2,(H2,15,16);1H
InChIKeyAJJRNJDBWVGBGS-UHFFFAOYSA-N
XLogP3.34
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 15406765
N-[2-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)ethyl]-1-phenylmethanesulfinamide
CID 54039887
2-[2-(1-methylpyridin-1-ium-2-yl)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine chloride
CID 19369224
(2S,6S)-2-(2-phenylethyl)-6-(3-phenylpropyl)piperidine
CID 44563173
2-phenylethylcyclooctane
CID 54073487
4-cyclopropylbutylbenzene
CID 10261592
cis-(1S,2R)-2-(2-phenylethyl)cyclopentan-1-amine
CID 92754802
2-(3-phenylpropyl)cyclopentane-1,3-dione
CID 25171357
cis-(1R,2S)-2-(2-phenylethyl)cyclopentan-1-amine
CID 92754803
5-cyclopropylpentylbenzene
CID 91089836
4-(3-phenylpropyl)-1-[4-[4-(3-phenylpropyl)piperidin-1-yl]butyl]piperidine;dihydrochloride
CID 70096793
2-phenyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride
CID 45259666

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylpropyl)-2,3,4,5-tetrahydropyridin-6-amine;hydrochloride?
The IUPAC name of 2-(3-phenylpropyl)-2,3,4,5-tetrahydropyridin-6-amine;hydrochloride (CID 131721545) is 2-(3-phenylpropyl)-2,3,4,5-tetrahydropyridin-6-amine;hydrochloride.
What is the SMILES notation for 2-(3-phenylpropyl)-2,3,4,5-tetrahydropyridin-6-amine;hydrochloride?
The canonical SMILES for 2-(3-phenylpropyl)-2,3,4,5-tetrahydropyridin-6-amine;hydrochloride is Cl.NC1=NC(CCCc2ccccc2)CCC1.
What is the InChIKey of 2-(3-phenylpropyl)-2,3,4,5-tetrahydropyridin-6-amine;hydrochloride?
The InChIKey is AJJRNJDBWVGBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2.ClH/c15-14-11-5-10-13(16-14)9-4-8-12-6-2-1-3-7-12;/h1-3,6-7,13H,4-5,8-11H2,(H2,15,16);1H.
What are the key properties of 2-(3-phenylpropyl)-2,3,4,5-tetrahydropyridin-6-amine;hydrochloride?
2-(3-phenylpropyl)-2,3,4,5-tetrahydropyridin-6-amine;hydrochloride has a molecular weight of 252.79 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylpropyl)-2,3,4,5-tetrahydropyridin-6-amine;hydrochloride is sourced from PubChem (CID 131721545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).