1-phenyl-N-(pyridin-4-ylmethyl)butan-1-amine;hydrochloride

C16H21ClN2 — CID 17155648

IUPAC1-phenyl-N-(pyridin-4-ylmethyl)butan-1-amine;hydrochloride
SMILESCCCC(NCc1ccncc1)c1ccccc1.Cl
InChIInChI=1S/C16H20N2.ClH/c1-2-6-16(15-7-4-3-5-8-15)18-13-14-9-11-17-12-10-14;/h3-5,7-12,16,18H,2,6,13H2,1H3;1H
InChIKeyBDHWADAPQICWRE-UHFFFAOYSA-N
MW276.81 g/mol
LogP4.13
Rot. Bonds6

About 1-phenyl-N-(pyridin-4-ylmethyl)butan-1-amine;hydrochloride

1-phenyl-N-(pyridin-4-ylmethyl)butan-1-amine;hydrochloride (PubChem CID 17155648) has the molecular formula C16H21ClN2 and a molecular weight of 276.81 g/mol. Its IUPAC name is 1-phenyl-N-(pyridin-4-ylmethyl)butan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-phenyl-N-(pyridin-4-ylmethyl)butan-1-amine;hydrochloride
PubChem CID17155648
Molecular FormulaC16H21ClN2
Molecular Weight276.81 g/mol
Exact Mass276.14
IUPAC Name1-phenyl-N-(pyridin-4-ylmethyl)butan-1-amine;hydrochloride
SMILESCCCC(NCc1ccncc1)c1ccccc1.Cl
InChIInChI=1S/C16H20N2.ClH/c1-2-6-16(15-7-4-3-5-8-15)18-13-14-9-11-17-12-10-14;/h3-5,7-12,16,18H,2,6,13H2,1H3;1H
InChIKeyBDHWADAPQICWRE-UHFFFAOYSA-N
XLogP4.13
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 ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methoxyphenyl)methyl]-1-phenylbutan-1-amine;hydrochloride
CID 17156102
1-phenyl-N-(pyridin-4-ylmethyl)ethanamine;dihydrochloride
CID 45156207
1-(3-nitrophenyl)-N-(pyridin-4-ylmethyl)butan-1-amine
CID 43204865
1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]butan-1-amine
CID 81406430
N-(1H-imidazol-2-ylmethyl)-1-phenylbutan-1-amine
CID 54976417
1-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]butan-1-amine
CID 17156015
1-(4-ethylphenyl)-N-(pyridin-4-ylmethyl)propan-1-amine
CID 43310046
[4-[(1-phenylpentylamino)methyl]phenyl]methanol
CID 107230172
N-[(3-methylimidazol-4-yl)methyl]-1-phenylbutan-1-amine
CID 62999017
1-phenyl-N-(3-phenylpropyl)butan-1-amine;hydrochloride
CID 3027694
N-[(2-fluorophenyl)methyl]-1-phenylbutan-1-amine
CID 17156263
4-phenyl-N-(pyridin-4-ylmethyl)butan-2-amine;hydrochloride
CID 17206485

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(pyridin-4-ylmethyl)butan-1-amine;hydrochloride?
The IUPAC name of 1-phenyl-N-(pyridin-4-ylmethyl)butan-1-amine;hydrochloride (CID 17155648) is 1-phenyl-N-(pyridin-4-ylmethyl)butan-1-amine;hydrochloride.
What is the SMILES notation for 1-phenyl-N-(pyridin-4-ylmethyl)butan-1-amine;hydrochloride?
The canonical SMILES for 1-phenyl-N-(pyridin-4-ylmethyl)butan-1-amine;hydrochloride is CCCC(NCc1ccncc1)c1ccccc1.Cl.
What is the InChIKey of 1-phenyl-N-(pyridin-4-ylmethyl)butan-1-amine;hydrochloride?
The InChIKey is BDHWADAPQICWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2.ClH/c1-2-6-16(15-7-4-3-5-8-15)18-13-14-9-11-17-12-10-14;/h3-5,7-12,16,18H,2,6,13H2,1H3;1H.
What are the key properties of 1-phenyl-N-(pyridin-4-ylmethyl)butan-1-amine;hydrochloride?
1-phenyl-N-(pyridin-4-ylmethyl)butan-1-amine;hydrochloride has a molecular weight of 276.81 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(pyridin-4-ylmethyl)butan-1-amine;hydrochloride is sourced from PubChem (CID 17155648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).