N-(cyclohexylmethyl)-4-phenylbutan-2-amine;hydrochloride

C17H28ClN — CID 17207144

IUPACN-(cyclohexylmethyl)-4-phenylbutan-2-amine;hydrochloride
SMILESCC(CCc1ccccc1)NCC1CCCCC1.Cl
InChIInChI=1S/C17H27N.ClH/c1-15(12-13-16-8-4-2-5-9-16)18-14-17-10-6-3-7-11-17;/h2,4-5,8-9,15,17-18H,3,6-7,10-14H2,1H3;1H
InChIKeyMIGDOOXKVWOUOM-UHFFFAOYSA-N
MW281.87 g/mol
LogP4.60
Rot. Bonds6

About N-(cyclohexylmethyl)-4-phenylbutan-2-amine;hydrochloride

N-(cyclohexylmethyl)-4-phenylbutan-2-amine;hydrochloride (PubChem CID 17207144) has the molecular formula C17H28ClN and a molecular weight of 281.87 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-4-phenylbutan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-4-phenylbutan-2-amine;hydrochloride
PubChem CID17207144
Molecular FormulaC17H28ClN
Molecular Weight281.87 g/mol
Exact Mass281.19
IUPAC NameN-(cyclohexylmethyl)-4-phenylbutan-2-amine;hydrochloride
SMILESCC(CCc1ccccc1)NCC1CCCCC1.Cl
InChIInChI=1S/C17H27N.ClH/c1-15(12-13-16-8-4-2-5-9-16)18-14-17-10-6-3-7-11-17;/h2,4-5,8-9,15,17-18H,3,6-7,10-14H2,1H3;1H
InChIKeyMIGDOOXKVWOUOM-UHFFFAOYSA-N
XLogP4.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.87
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-N-(cyclohexylmethyl)-4-phenylbutan-2-amine
CID 51526703
4-[(4-phenylbutan-2-ylamino)methyl]cyclohexan-1-ol
CID 106126000
N-(cyclopentylmethyl)-1-phenylpropan-2-amine
CID 63012592
N-(cyclopentylmethyl)-4-(4-methoxyphenyl)butan-2-amine
CID 43775517
2-[(4-phenylbutan-2-ylamino)methyl]cyclohexan-1-one
CID 110176147
N-(oxan-2-ylmethyl)-4-phenylbutan-2-amine
CID 60688470
N-(4-phenylbutan-2-yl)cyclohexanamine
CID 10633307
1-cyclohexyl-N-[(2S)-4-phenylbutan-2-yl]methanesulfonamide
CID 95733759
N-[(2-methylcyclopropyl)methyl]-4-phenylbutan-2-amine
CID 115676382
(5-cyclohexyl-3-methoxypentyl)benzene
CID 143381268
[(3R)-3-cyclohexylbutyl]benzene
CID 102579407
4-(4-methoxyphenyl)-N-(oxan-3-ylmethyl)butan-2-amine
CID 61020032

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-4-phenylbutan-2-amine;hydrochloride?
The IUPAC name of N-(cyclohexylmethyl)-4-phenylbutan-2-amine;hydrochloride (CID 17207144) is N-(cyclohexylmethyl)-4-phenylbutan-2-amine;hydrochloride.
What is the SMILES notation for N-(cyclohexylmethyl)-4-phenylbutan-2-amine;hydrochloride?
The canonical SMILES for N-(cyclohexylmethyl)-4-phenylbutan-2-amine;hydrochloride is CC(CCc1ccccc1)NCC1CCCCC1.Cl.
What is the InChIKey of N-(cyclohexylmethyl)-4-phenylbutan-2-amine;hydrochloride?
The InChIKey is MIGDOOXKVWOUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N.ClH/c1-15(12-13-16-8-4-2-5-9-16)18-14-17-10-6-3-7-11-17;/h2,4-5,8-9,15,17-18H,3,6-7,10-14H2,1H3;1H.
What are the key properties of N-(cyclohexylmethyl)-4-phenylbutan-2-amine;hydrochloride?
N-(cyclohexylmethyl)-4-phenylbutan-2-amine;hydrochloride has a molecular weight of 281.87 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-4-phenylbutan-2-amine;hydrochloride is sourced from PubChem (CID 17207144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).