1-(4-cyclohexylphenyl)-1-(dimethylamino)propan-2-one

C17H25NO — CID 116859922

IUPAC1-(4-cyclohexylphenyl)-1-(dimethylamino)propan-2-one
SMILESCC(=O)C(c1ccc(C2CCCCC2)cc1)N(C)C
InChIInChI=1S/C17H25NO/c1-13(19)17(18(2)3)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h9-12,14,17H,4-8H2,1-3H3
InChIKeyAMPMGVXPCQYKEO-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.93
Rot. Bonds4

About 1-(4-cyclohexylphenyl)-1-(dimethylamino)propan-2-one

1-(4-cyclohexylphenyl)-1-(dimethylamino)propan-2-one (PubChem CID 116859922) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-(4-cyclohexylphenyl)-1-(dimethylamino)propan-2-one.

Molecular Properties

Compound Name1-(4-cyclohexylphenyl)-1-(dimethylamino)propan-2-one
PubChem CID116859922
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name1-(4-cyclohexylphenyl)-1-(dimethylamino)propan-2-one
SMILESCC(=O)C(c1ccc(C2CCCCC2)cc1)N(C)C
InChIInChI=1S/C17H25NO/c1-13(19)17(18(2)3)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h9-12,14,17H,4-8H2,1-3H3
InChIKeyAMPMGVXPCQYKEO-UHFFFAOYSA-N
XLogP3.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-cyclohexylphenyl)-2-(dimethylamino)acetic acid
CID 82090569
(4-cyclohexylphenyl)-(dimethylamino)methanethiol
CID 116909382
4-amino-4-(4-cyclohexylphenyl)butan-2-one
CID 116940518
2-chloro-1-(4-cyclohexylphenyl)-N,N-dimethylethanamine
CID 116907408
1-(4-cyclohexyl-N-methylanilino)propan-2-one
CID 115234545
2-amino-2-(4-cyclohexylphenyl)acetamide
CID 116850743
(2S)-2-amino-2-(4-cyclohexylphenyl)acetic acid
CID 66512949
(2R,3S)-2-(4-cyclohexylphenyl)-3-hydroxybutanoic acid
CID 13153059
3-(4-cyclohexylphenyl)-4-methylpentanoic acid
CID 52983807
N-[(1S)-1-(4-cyclopentylphenyl)ethyl]-N-methyl-2-piperidin-1-ylacetamide
CID 92968552
2-(4-cyclobutylphenyl)propanoic acid
CID 116506632
3-(4-cyclohexylphenyl)-3-methylbutan-2-one
CID 82294466

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylphenyl)-1-(dimethylamino)propan-2-one?
The IUPAC name of 1-(4-cyclohexylphenyl)-1-(dimethylamino)propan-2-one (CID 116859922) is 1-(4-cyclohexylphenyl)-1-(dimethylamino)propan-2-one.
What is the SMILES notation for 1-(4-cyclohexylphenyl)-1-(dimethylamino)propan-2-one?
The canonical SMILES for 1-(4-cyclohexylphenyl)-1-(dimethylamino)propan-2-one is CC(=O)C(c1ccc(C2CCCCC2)cc1)N(C)C.
What is the InChIKey of 1-(4-cyclohexylphenyl)-1-(dimethylamino)propan-2-one?
The InChIKey is AMPMGVXPCQYKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-13(19)17(18(2)3)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h9-12,14,17H,4-8H2,1-3H3.
What are the key properties of 1-(4-cyclohexylphenyl)-1-(dimethylamino)propan-2-one?
1-(4-cyclohexylphenyl)-1-(dimethylamino)propan-2-one has a molecular weight of 259.39 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylphenyl)-1-(dimethylamino)propan-2-one is sourced from PubChem (CID 116859922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).