1-amino-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]cyclohexane-1-carboxamide

C17H23F3N2O2 — CID 119303272

IUPAC1-amino-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]cyclohexane-1-carboxamide
SMILESCC(NC(=O)C1(N)CCCCC1)c1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C17H23F3N2O2/c1-12(22-15(23)16(21)9-3-2-4-10-16)13-5-7-14(8-6-13)24-11-17(18,19)20/h5-8,12H,2-4,9-11,21H2,1H3,(H,22,23)
InChIKeyFOGYBRYZJAWBPJ-UHFFFAOYSA-N
MW344.38 g/mol
LogP3.47
Rot. Bonds5

About 1-amino-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]cyclohexane-1-carboxamide

1-amino-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]cyclohexane-1-carboxamide (PubChem CID 119303272) has the molecular formula C17H23F3N2O2 and a molecular weight of 344.38 g/mol. Its IUPAC name is 1-amino-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]cyclohexane-1-carboxamide
PubChem CID119303272
Molecular FormulaC17H23F3N2O2
Molecular Weight344.38 g/mol
Exact Mass344.17
IUPAC Name1-amino-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]cyclohexane-1-carboxamide
SMILESCC(NC(=O)C1(N)CCCCC1)c1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C17H23F3N2O2/c1-12(22-15(23)16(21)9-3-2-4-10-16)13-5-7-14(8-6-13)24-11-17(18,19)20/h5-8,12H,2-4,9-11,21H2,1H3,(H,22,23)
InChIKeyFOGYBRYZJAWBPJ-UHFFFAOYSA-N
XLogP3.47
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119748696
1-amino-N-[1-[4-(trifluoromethyl)phenyl]ethyl]cyclohexane-1-carboxamide
CID 119280379
1-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 81350015
1-amino-N-[1-(4-ethylphenyl)ethyl]cyclopentane-1-carboxamide
CID 60866681
1-amino-N-[1-(4-methoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119706519
1-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119716690
4-(aminomethyl)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]benzamide;hydrochloride
CID 119303259
2-amino-2-(4-methylphenyl)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]acetamide
CID 120667813
1-amino-N-[(1S)-1-phenylethyl]cyclobutane-1-carboxamide
CID 81169221
1-[1-(4-bromophenyl)ethyl]-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]urea
CID 112808744
2,2,2-trifluoroethyl N-[1-(4-ethoxyphenyl)ethyl]carbamate
CID 60705841
2-methyl-3-(methylamino)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]propanamide;hydrochloride
CID 119748726

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]cyclohexane-1-carboxamide (CID 119303272) is 1-amino-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]cyclohexane-1-carboxamide is CC(NC(=O)C1(N)CCCCC1)c1ccc(OCC(F)(F)F)cc1.
What is the InChIKey of 1-amino-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]cyclohexane-1-carboxamide?
The InChIKey is FOGYBRYZJAWBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O2/c1-12(22-15(23)16(21)9-3-2-4-10-16)13-5-7-14(8-6-13)24-11-17(18,19)20/h5-8,12H,2-4,9-11,21H2,1H3,(H,22,23).
What are the key properties of 1-amino-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]cyclohexane-1-carboxamide?
1-amino-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]cyclohexane-1-carboxamide has a molecular weight of 344.38 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119303272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).