(3-aminocyclohexyl) N-[4-(trifluoromethyl)phenyl]carbamate

C14H17F3N2O2 — CID 79458052

IUPAC(3-aminocyclohexyl) N-[4-(trifluoromethyl)phenyl]carbamate
SMILESNC1CCCC(OC(=O)Nc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)9-4-6-11(7-5-9)19-13(20)21-12-3-1-2-10(18)8-12/h4-7,10,12H,1-3,8,18H2,(H,19,20)
InChIKeyKHNHDVMKIFFLRI-UHFFFAOYSA-N
MW302.30 g/mol
LogP3.52
Rot. Bonds2

About (3-aminocyclohexyl) N-[4-(trifluoromethyl)phenyl]carbamate

(3-aminocyclohexyl) N-[4-(trifluoromethyl)phenyl]carbamate (PubChem CID 79458052) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is (3-aminocyclohexyl) N-[4-(trifluoromethyl)phenyl]carbamate.

Molecular Properties

Compound Name(3-aminocyclohexyl) N-[4-(trifluoromethyl)phenyl]carbamate
PubChem CID79458052
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name(3-aminocyclohexyl) N-[4-(trifluoromethyl)phenyl]carbamate
SMILESNC1CCCC(OC(=O)Nc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)9-4-6-11(7-5-9)19-13(20)21-12-3-1-2-10(18)8-12/h4-7,10,12H,1-3,8,18H2,(H,19,20)
InChIKeyKHNHDVMKIFFLRI-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

(3-aminocyclohexyl) N-[2-(trifluoromethyl)phenyl]carbamate
CID 79458051
azetidin-3-yl N-[4-(trifluoromethyl)phenyl]carbamate
CID 79338363
[(1S,3R)-3-(phenylcarbamoyloxy)cyclohexyl] N-phenylcarbamate
CID 139079563
cyclobutyl N-(4-aminophenyl)carbamate
CID 62139706
(3-aminocyclobutyl) N-(4-methylphenyl)carbamate
CID 79346677
(3-aminocyclohexyl) N-(2-methoxyphenyl)carbamate
CID 79465855
1-(2-aminocyclopentyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 63251608
3-amino-N-[4-(2,2,2-trifluoroethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119698618
piperidin-3-ylmethyl N-[4-(trifluoromethyl)phenyl]carbamate
CID 79344499
2-(3-aminocyclohexyl)oxy-N-(4-fluorophenyl)acetamide
CID 79466122
2-bromoethyl N-[4-(trifluoromethyl)phenyl]carbamate
CID 103970519
2-(4-aminopiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119907372

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclohexyl) N-[4-(trifluoromethyl)phenyl]carbamate?
The IUPAC name of (3-aminocyclohexyl) N-[4-(trifluoromethyl)phenyl]carbamate (CID 79458052) is (3-aminocyclohexyl) N-[4-(trifluoromethyl)phenyl]carbamate.
What is the SMILES notation for (3-aminocyclohexyl) N-[4-(trifluoromethyl)phenyl]carbamate?
The canonical SMILES for (3-aminocyclohexyl) N-[4-(trifluoromethyl)phenyl]carbamate is NC1CCCC(OC(=O)Nc2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of (3-aminocyclohexyl) N-[4-(trifluoromethyl)phenyl]carbamate?
The InChIKey is KHNHDVMKIFFLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c15-14(16,17)9-4-6-11(7-5-9)19-13(20)21-12-3-1-2-10(18)8-12/h4-7,10,12H,1-3,8,18H2,(H,19,20).
What are the key properties of (3-aminocyclohexyl) N-[4-(trifluoromethyl)phenyl]carbamate?
(3-aminocyclohexyl) N-[4-(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-[4-(trifluoromethyl)phenyl]carbamate is sourced from PubChem (CID 79458052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).