[(4-phenylcyclohexyl)amino] acetate

C14H19NO2 — CID 91400059

IUPAC[(4-phenylcyclohexyl)amino] acetate
SMILESCC(=O)ONC1CCC(c2ccccc2)CC1
InChIInChI=1S/C14H19NO2/c1-11(16)17-15-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-6,13-15H,7-10H2,1H3
InChIKeyAHFMAQJKHFFJKX-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.78
Rot. Bonds3

About [(4-phenylcyclohexyl)amino] acetate

[(4-phenylcyclohexyl)amino] acetate (PubChem CID 91400059) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is [(4-phenylcyclohexyl)amino] acetate.

Molecular Properties

Compound Name[(4-phenylcyclohexyl)amino] acetate
PubChem CID91400059
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name[(4-phenylcyclohexyl)amino] acetate
SMILESCC(=O)ONC1CCC(c2ccccc2)CC1
InChIInChI=1S/C14H19NO2/c1-11(16)17-15-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-6,13-15H,7-10H2,1H3
InChIKeyAHFMAQJKHFFJKX-UHFFFAOYSA-N
XLogP2.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[[4-(4-fluorophenyl)cyclohexyl]amino] acetate
CID 91275833
benzene;cyclopropylbenzene
CID 144638417
tert-butyl 2-[(4-phenylcyclohexyl)amino]acetate
CID 13312583
4-[(4-phenylcyclohexyl)methylamino]cyclohexane-1-carboxylic acid
CID 122031272
3-amino-3-methyl-N-(4-phenylcyclohexyl)butanamide
CID 64683408
N,N-dimethyl-3-[(4-phenylcyclohexyl)amino]propanamide
CID 60925916
2-methyl-N-[2-[(4-phenylcyclohexyl)amino]ethyl]propanamide
CID 28650865
2-amino-2-methyl-N-(4-phenylcyclohexyl)butanamide
CID 79796546
2,2-dimethyl-3-[(4-phenylcyclohexyl)amino]propanamide
CID 103617386
(2S)-2-amino-3-phenyl-N-(4-phenylcyclohexyl)propanamide
CID 119285391
1-(4-phenylcyclohexyl)propan-1-one
CID 13042788
cyclopropylbenzene;ethane;phenyl carbamate
CID 166076294

Frequently Asked Questions

What is the IUPAC name of [(4-phenylcyclohexyl)amino] acetate?
The IUPAC name of [(4-phenylcyclohexyl)amino] acetate (CID 91400059) is [(4-phenylcyclohexyl)amino] acetate.
What is the SMILES notation for [(4-phenylcyclohexyl)amino] acetate?
The canonical SMILES for [(4-phenylcyclohexyl)amino] acetate is CC(=O)ONC1CCC(c2ccccc2)CC1.
What is the InChIKey of [(4-phenylcyclohexyl)amino] acetate?
The InChIKey is AHFMAQJKHFFJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-11(16)17-15-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-6,13-15H,7-10H2,1H3.
What are the key properties of [(4-phenylcyclohexyl)amino] acetate?
[(4-phenylcyclohexyl)amino] acetate has a molecular weight of 233.31 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-phenylcyclohexyl)amino] acetate is sourced from PubChem (CID 91400059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).