4-(1-phenylethylamino)cyclohexan-1-one

C14H19NO — CID 85299534

IUPAC4-(1-phenylethylamino)cyclohexan-1-one
SMILESCC(NC1CCC(=O)CC1)c1ccccc1
InChIInChI=1S/C14H19NO/c1-11(12-5-3-2-4-6-12)15-13-7-9-14(16)10-8-13/h2-6,11,13,15H,7-10H2,1H3
InChIKeyWBHYZMQVVKXYMF-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.85
Rot. Bonds3

About 4-(1-phenylethylamino)cyclohexan-1-one

4-(1-phenylethylamino)cyclohexan-1-one (PubChem CID 85299534) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 4-(1-phenylethylamino)cyclohexan-1-one.

Molecular Properties

Compound Name4-(1-phenylethylamino)cyclohexan-1-one
PubChem CID85299534
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name4-(1-phenylethylamino)cyclohexan-1-one
SMILESCC(NC1CCC(=O)CC1)c1ccccc1
InChIInChI=1S/C14H19NO/c1-11(12-5-3-2-4-6-12)15-13-7-9-14(16)10-8-13/h2-6,11,13,15H,7-10H2,1H3
InChIKeyWBHYZMQVVKXYMF-UHFFFAOYSA-N
XLogP2.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 60662638
N-(1-phenylethyl)oxan-4-amine
CID 43608319
N-[(1S)-1-phenylethyl]piperidin-4-amine
CID 81351686
N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 81351587
1-[4-(1-phenylethylamino)piperidin-1-yl]ethanone
CID 43222563
4-(1-phenylethylamino)piperidine-1-carboxylic acid
CID 152567393
N-[(1S)-1-phenylethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 81350691
N-[1-(4-phenylphenyl)ethyl]cyclopentanamine
CID 43078880
N,N-dimethyl-4-[[(1R)-1-phenylethyl]amino]piperidine-1-carboxamide
CID 83206240
N,N-dimethyl-4-(1-phenylethylamino)piperidine-1-carboxamide
CID 83205698
(3S)-1-methyl-N-(1-phenylethyl)pyrrolidin-3-amine
CID 134939795
1-methyl-N-[(1S)-1-phenylethyl]azepan-4-amine
CID 81350289

Frequently Asked Questions

What is the IUPAC name of 4-(1-phenylethylamino)cyclohexan-1-one?
The IUPAC name of 4-(1-phenylethylamino)cyclohexan-1-one (CID 85299534) is 4-(1-phenylethylamino)cyclohexan-1-one.
What is the SMILES notation for 4-(1-phenylethylamino)cyclohexan-1-one?
The canonical SMILES for 4-(1-phenylethylamino)cyclohexan-1-one is CC(NC1CCC(=O)CC1)c1ccccc1.
What is the InChIKey of 4-(1-phenylethylamino)cyclohexan-1-one?
The InChIKey is WBHYZMQVVKXYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-11(12-5-3-2-4-6-12)15-13-7-9-14(16)10-8-13/h2-6,11,13,15H,7-10H2,1H3.
What are the key properties of 4-(1-phenylethylamino)cyclohexan-1-one?
4-(1-phenylethylamino)cyclohexan-1-one has a molecular weight of 217.31 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenylethylamino)cyclohexan-1-one is sourced from PubChem (CID 85299534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).