(3-aminocyclohexyl) N-[2-(trifluoromethyl)phenyl]carbamate

C14H17F3N2O2 — CID 79458051

IUPAC(3-aminocyclohexyl) N-[2-(trifluoromethyl)phenyl]carbamate
SMILESNC1CCCC(OC(=O)Nc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)11-6-1-2-7-12(11)19-13(20)21-10-5-3-4-9(18)8-10/h1-2,6-7,9-10H,3-5,8,18H2,(H,19,20)
InChIKeyFBNNIVDRYOQUNP-UHFFFAOYSA-N
MW302.30 g/mol
LogP3.52
Rot. Bonds2

About (3-aminocyclohexyl) N-[2-(trifluoromethyl)phenyl]carbamate

(3-aminocyclohexyl) N-[2-(trifluoromethyl)phenyl]carbamate (PubChem CID 79458051) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is (3-aminocyclohexyl) N-[2-(trifluoromethyl)phenyl]carbamate.

Molecular Properties

Compound Name(3-aminocyclohexyl) N-[2-(trifluoromethyl)phenyl]carbamate
PubChem CID79458051
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name(3-aminocyclohexyl) N-[2-(trifluoromethyl)phenyl]carbamate
SMILESNC1CCCC(OC(=O)Nc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)11-6-1-2-7-12(11)19-13(20)21-10-5-3-4-9(18)8-10/h1-2,6-7,9-10H,3-5,8,18H2,(H,19,20)
InChIKeyFBNNIVDRYOQUNP-UHFFFAOYSA-N
XLogP3.52
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cyclohexyl N-[2-(trifluoromethyl)phenyl]carbamate
CID 127539075
(3-aminocyclohexyl) N-(2-methoxyphenyl)carbamate
CID 79465855
(3-aminocyclohexyl) N-[4-(trifluoromethyl)phenyl]carbamate
CID 79458052
3-amino-N-[[2-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119705497
2-amino-N-[2-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 64817726
3-amino-N-[2-(trifluoromethyl)phenyl]azetidine-1-carboxamide
CID 63767129
[(1S,3R)-3-(phenylcarbamoyloxy)cyclohexyl] N-phenylcarbamate
CID 139079563
[3-[[2-(trifluoromethyl)benzoyl]amino]cyclohexyl] N-(4-fluorophenyl)carbamate
CID 71794320
2-[acetyl(cyclopentyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113159346
9-oxo-N-[2-(trifluoromethyl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 2898045
1-(3-cyclopentyloxypropyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 49110487
N-[2-(trifluoromethyl)phenyl]carbamoyl chloride
CID 84820766

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclohexyl) N-[2-(trifluoromethyl)phenyl]carbamate?
The IUPAC name of (3-aminocyclohexyl) N-[2-(trifluoromethyl)phenyl]carbamate (CID 79458051) is (3-aminocyclohexyl) N-[2-(trifluoromethyl)phenyl]carbamate.
What is the SMILES notation for (3-aminocyclohexyl) N-[2-(trifluoromethyl)phenyl]carbamate?
The canonical SMILES for (3-aminocyclohexyl) N-[2-(trifluoromethyl)phenyl]carbamate is NC1CCCC(OC(=O)Nc2ccccc2C(F)(F)F)C1.
What is the InChIKey of (3-aminocyclohexyl) N-[2-(trifluoromethyl)phenyl]carbamate?
The InChIKey is FBNNIVDRYOQUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c15-14(16,17)11-6-1-2-7-12(11)19-13(20)21-10-5-3-4-9(18)8-10/h1-2,6-7,9-10H,3-5,8,18H2,(H,19,20).
What are the key properties of (3-aminocyclohexyl) N-[2-(trifluoromethyl)phenyl]carbamate?
(3-aminocyclohexyl) N-[2-(trifluoromethyl)phenyl]carbamate has a molecular weight of 302.30 g/mol, XLogP of 3.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclohexyl) N-[2-(trifluoromethyl)phenyl]carbamate is sourced from PubChem (CID 79458051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).