4-phenyl-N-(pyridin-4-ylmethyl)butan-2-amine;hydrochloride

C16H21ClN2 — CID 17206485

IUPAC4-phenyl-N-(pyridin-4-ylmethyl)butan-2-amine;hydrochloride
SMILESCC(CCc1ccccc1)NCc1ccncc1.Cl
InChIInChI=1S/C16H20N2.ClH/c1-14(7-8-15-5-3-2-4-6-15)18-13-16-9-11-17-12-10-16;/h2-6,9-12,14,18H,7-8,13H2,1H3;1H
InChIKeySLANGIAFYOYNGL-UHFFFAOYSA-N
MW276.81 g/mol
LogP3.61
Rot. Bonds6

About 4-phenyl-N-(pyridin-4-ylmethyl)butan-2-amine;hydrochloride

4-phenyl-N-(pyridin-4-ylmethyl)butan-2-amine;hydrochloride (PubChem CID 17206485) has the molecular formula C16H21ClN2 and a molecular weight of 276.81 g/mol. Its IUPAC name is 4-phenyl-N-(pyridin-4-ylmethyl)butan-2-amine;hydrochloride.

Molecular Properties

Compound Name4-phenyl-N-(pyridin-4-ylmethyl)butan-2-amine;hydrochloride
PubChem CID17206485
Molecular FormulaC16H21ClN2
Molecular Weight276.81 g/mol
Exact Mass276.14
IUPAC Name4-phenyl-N-(pyridin-4-ylmethyl)butan-2-amine;hydrochloride
SMILESCC(CCc1ccccc1)NCc1ccncc1.Cl
InChIInChI=1S/C16H20N2.ClH/c1-14(7-8-15-5-3-2-4-6-15)18-13-16-9-11-17-12-10-16;/h2-6,9-12,14,18H,7-8,13H2,1H3;1H
InChIKeySLANGIAFYOYNGL-UHFFFAOYSA-N
XLogP3.61
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.81
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-N-(pyrimidin-4-ylmethyl)butan-2-amine
CID 62760223
N-benzyl-4-(4-fluorophenyl)butan-2-amine
CID 21331650
N-[(4-bromophenyl)methyl]-4-phenylbutan-2-amine
CID 17211073
N-[(3,4-dichlorophenyl)methyl]-4-phenylbutan-2-amine
CID 17211336
1-phenyl-N-(pyridin-4-ylmethyl)ethanamine;dihydrochloride
CID 45156207
4-[(4-phenylbutan-2-ylamino)methyl]pyridine-2-carbonitrile
CID 63882521
N-[(2-chlorophenyl)methyl]-4-phenylbutan-2-amine;hydrochloride
CID 17211329
N-[(3,5-difluorophenyl)methyl]-4-phenylbutan-2-amine
CID 115623663
N-benzyl-4-(3-methylphenyl)butan-2-amine
CID 61170329
N-benzyl-5-methylhexan-2-amine
CID 43177530
1-(2-methylphenyl)-N-(pyridin-4-ylmethyl)propan-2-amine
CID 54864805
(2R)-4-phenyl-N-(thiophen-3-ylmethyl)butan-2-amine
CID 28667748

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(pyridin-4-ylmethyl)butan-2-amine;hydrochloride?
The IUPAC name of 4-phenyl-N-(pyridin-4-ylmethyl)butan-2-amine;hydrochloride (CID 17206485) is 4-phenyl-N-(pyridin-4-ylmethyl)butan-2-amine;hydrochloride.
What is the SMILES notation for 4-phenyl-N-(pyridin-4-ylmethyl)butan-2-amine;hydrochloride?
The canonical SMILES for 4-phenyl-N-(pyridin-4-ylmethyl)butan-2-amine;hydrochloride is CC(CCc1ccccc1)NCc1ccncc1.Cl.
What is the InChIKey of 4-phenyl-N-(pyridin-4-ylmethyl)butan-2-amine;hydrochloride?
The InChIKey is SLANGIAFYOYNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2.ClH/c1-14(7-8-15-5-3-2-4-6-15)18-13-16-9-11-17-12-10-16;/h2-6,9-12,14,18H,7-8,13H2,1H3;1H.
What are the key properties of 4-phenyl-N-(pyridin-4-ylmethyl)butan-2-amine;hydrochloride?
4-phenyl-N-(pyridin-4-ylmethyl)butan-2-amine;hydrochloride has a molecular weight of 276.81 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(pyridin-4-ylmethyl)butan-2-amine;hydrochloride is sourced from PubChem (CID 17206485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).