1-(4-pyridin-2-ylphenyl)butan-2-amine;hydrochloride

C15H19ClN2 — CID 170889160

IUPAC1-(4-pyridin-2-ylphenyl)butan-2-amine;hydrochloride
SMILESCCC(N)Cc1ccc(-c2ccccn2)cc1.Cl
InChIInChI=1S/C15H18N2.ClH/c1-2-14(16)11-12-6-8-13(9-7-12)15-5-3-4-10-17-15;/h3-10,14H,2,11,16H2,1H3;1H
InChIKeyBOKDXQVWCKRZKE-UHFFFAOYSA-N
MW262.78 g/mol
LogP3.45
Rot. Bonds4

About 1-(4-pyridin-2-ylphenyl)butan-2-amine;hydrochloride

1-(4-pyridin-2-ylphenyl)butan-2-amine;hydrochloride (PubChem CID 170889160) has the molecular formula C15H19ClN2 and a molecular weight of 262.78 g/mol. Its IUPAC name is 1-(4-pyridin-2-ylphenyl)butan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(4-pyridin-2-ylphenyl)butan-2-amine;hydrochloride
PubChem CID170889160
Molecular FormulaC15H19ClN2
Molecular Weight262.78 g/mol
Exact Mass262.12
IUPAC Name1-(4-pyridin-2-ylphenyl)butan-2-amine;hydrochloride
SMILESCCC(N)Cc1ccc(-c2ccccn2)cc1.Cl
InChIInChI=1S/C15H18N2.ClH/c1-2-14(16)11-12-6-8-13(9-7-12)15-5-3-4-10-17-15;/h3-10,14H,2,11,16H2,1H3;1H
InChIKeyBOKDXQVWCKRZKE-UHFFFAOYSA-N
XLogP3.45
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-phenylphenyl)butan-2-amine
CID 23591877
ethane;2-(4-propylphenyl)pyridine
CID 158701503
2-[4-(1-deuteriopropyl)phenyl]pyridine
CID 163281838
N-methyl-1-phenyl-2-(4-pyridin-2-ylphenyl)ethanamine
CID 82540649
1-(6-pyridin-2-ylsulfanyl-3-pyridinyl)butan-2-amine
CID 80650790
ethyl 3-phenyl-4-(4-pyridin-2-ylphenyl)butanoate
CID 174421102
2-[4-(bromomethyl)phenyl]pyridine;2-(4-methylphenyl)pyridine
CID 175312241
trimethyl-[2-(4-pyridin-2-ylphenyl)ethyl]silane
CID 162513339
1-[2-(pyridin-2-ylmethyl)pyrimidin-5-yl]butan-2-amine
CID 55113743
tert-butyl N-[(2S,3S,5S)-5-amino-3-hydroxy-1-phenyl-6-(4-pyridin-2-ylphenyl)hexan-2-yl]carbamate
CID 11605032
2-(4-methylphenyl)pyridine;silver
CID 121395993
2-(4-pyridin-2-ylphenyl)acetamide
CID 57447645

Frequently Asked Questions

What is the IUPAC name of 1-(4-pyridin-2-ylphenyl)butan-2-amine;hydrochloride?
The IUPAC name of 1-(4-pyridin-2-ylphenyl)butan-2-amine;hydrochloride (CID 170889160) is 1-(4-pyridin-2-ylphenyl)butan-2-amine;hydrochloride.
What is the SMILES notation for 1-(4-pyridin-2-ylphenyl)butan-2-amine;hydrochloride?
The canonical SMILES for 1-(4-pyridin-2-ylphenyl)butan-2-amine;hydrochloride is CCC(N)Cc1ccc(-c2ccccn2)cc1.Cl.
What is the InChIKey of 1-(4-pyridin-2-ylphenyl)butan-2-amine;hydrochloride?
The InChIKey is BOKDXQVWCKRZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2.ClH/c1-2-14(16)11-12-6-8-13(9-7-12)15-5-3-4-10-17-15;/h3-10,14H,2,11,16H2,1H3;1H.
What are the key properties of 1-(4-pyridin-2-ylphenyl)butan-2-amine;hydrochloride?
1-(4-pyridin-2-ylphenyl)butan-2-amine;hydrochloride has a molecular weight of 262.78 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pyridin-2-ylphenyl)butan-2-amine;hydrochloride is sourced from PubChem (CID 170889160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).