1-phenyl-N-propan-2-ylcyclohexan-1-amine;hydrochloride

C15H24ClN — CID 53299308

IUPAC1-phenyl-N-propan-2-ylcyclohexan-1-amine;hydrochloride
SMILESCC(C)NC1(c2ccccc2)CCCCC1.Cl
InChIInChI=1S/C15H23N.ClH/c1-13(2)16-15(11-7-4-8-12-15)14-9-5-3-6-10-14;/h3,5-6,9-10,13,16H,4,7-8,11-12H2,1-2H3;1H
InChIKeyCPEDMQJIDVYEGE-UHFFFAOYSA-N
MW253.82 g/mol
LogP4.27
Rot. Bonds3

About 1-phenyl-N-propan-2-ylcyclohexan-1-amine;hydrochloride

1-phenyl-N-propan-2-ylcyclohexan-1-amine;hydrochloride (PubChem CID 53299308) has the molecular formula C15H24ClN and a molecular weight of 253.82 g/mol. Its IUPAC name is 1-phenyl-N-propan-2-ylcyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-phenyl-N-propan-2-ylcyclohexan-1-amine;hydrochloride
PubChem CID53299308
Molecular FormulaC15H24ClN
Molecular Weight253.82 g/mol
Exact Mass253.16
IUPAC Name1-phenyl-N-propan-2-ylcyclohexan-1-amine;hydrochloride
SMILESCC(C)NC1(c2ccccc2)CCCCC1.Cl
InChIInChI=1S/C15H23N.ClH/c1-13(2)16-15(11-7-4-8-12-15)14-9-5-3-6-10-14;/h3,5-6,9-10,13,16H,4,7-8,11-12H2,1-2H3;1H
InChIKeyCPEDMQJIDVYEGE-UHFFFAOYSA-N
XLogP4.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.82
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-butan-2-yl-1-phenylcyclohexan-1-amine;hydrochloride
CID 53299309
3-[1-(propan-2-ylamino)cyclohexyl]phenol
CID 70506241
N-(1-phenylcyclooctyl)hydroxylamine
CID 163440623
N-benzyl-1-phenylcyclohexan-1-amine
CID 76851721
cyclohexane;N-methyl-1-phenylcyclopropan-1-amine
CID 156796665
N-(1,1,2,2,2-pentadeuterioethyl)-1-phenylcyclohexan-1-amine;hydrochloride
CID 71315071
1-phenyl-N-[(1R)-1-thiophen-3-ylethyl]cyclobutan-1-amine
CID 99776814
N-[(1R)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-1-phenylcyclopentan-1-amine
CID 946822
1-(1-phenylcyclopentyl)ethanamine;hydrochloride
CID 75466877
(1R)-1-(1-phenylcyclohexyl)ethanamine
CID 78998571
2-[(1-phenylcyclohexyl)amino]acetic acid;hydrochloride
CID 175015594
N-(1-methoxypropan-2-yl)-1-phenylcyclopropan-1-amine
CID 115920179

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-propan-2-ylcyclohexan-1-amine;hydrochloride?
The IUPAC name of 1-phenyl-N-propan-2-ylcyclohexan-1-amine;hydrochloride (CID 53299308) is 1-phenyl-N-propan-2-ylcyclohexan-1-amine;hydrochloride.
What is the SMILES notation for 1-phenyl-N-propan-2-ylcyclohexan-1-amine;hydrochloride?
The canonical SMILES for 1-phenyl-N-propan-2-ylcyclohexan-1-amine;hydrochloride is CC(C)NC1(c2ccccc2)CCCCC1.Cl.
What is the InChIKey of 1-phenyl-N-propan-2-ylcyclohexan-1-amine;hydrochloride?
The InChIKey is CPEDMQJIDVYEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N.ClH/c1-13(2)16-15(11-7-4-8-12-15)14-9-5-3-6-10-14;/h3,5-6,9-10,13,16H,4,7-8,11-12H2,1-2H3;1H.
What are the key properties of 1-phenyl-N-propan-2-ylcyclohexan-1-amine;hydrochloride?
1-phenyl-N-propan-2-ylcyclohexan-1-amine;hydrochloride has a molecular weight of 253.82 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-propan-2-ylcyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 53299308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).