[2-amino-1-[3-(trifluoromethyl)phenyl]ethyl]carbamic acid;hydrochloride

C10H12ClF3N2O2 — CID 66611868

IUPAC[2-amino-1-[3-(trifluoromethyl)phenyl]ethyl]carbamic acid;hydrochloride
SMILESCl.NCC(NC(=O)O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H11F3N2O2.ClH/c11-10(12,13)7-3-1-2-6(4-7)8(5-14)15-9(16)17;/h1-4,8,15H,5,14H2,(H,16,17);1H
InChIKeyXHWUOURFRCTUFZ-UHFFFAOYSA-N
MW284.67 g/mol
LogP2.39
Rot. Bonds3

About [2-amino-1-[3-(trifluoromethyl)phenyl]ethyl]carbamic acid;hydrochloride

[2-amino-1-[3-(trifluoromethyl)phenyl]ethyl]carbamic acid;hydrochloride (PubChem CID 66611868) has the molecular formula C10H12ClF3N2O2 and a molecular weight of 284.67 g/mol. Its IUPAC name is [2-amino-1-[3-(trifluoromethyl)phenyl]ethyl]carbamic acid;hydrochloride.

Molecular Properties

Compound Name[2-amino-1-[3-(trifluoromethyl)phenyl]ethyl]carbamic acid;hydrochloride
PubChem CID66611868
Molecular FormulaC10H12ClF3N2O2
Molecular Weight284.67 g/mol
Exact Mass284.05
IUPAC Name[2-amino-1-[3-(trifluoromethyl)phenyl]ethyl]carbamic acid;hydrochloride
SMILESCl.NCC(NC(=O)O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H11F3N2O2.ClH/c11-10(12,13)7-3-1-2-6(4-7)8(5-14)15-9(16)17;/h1-4,8,15H,5,14H2,(H,16,17);1H
InChIKeyXHWUOURFRCTUFZ-UHFFFAOYSA-N
XLogP2.39
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.67
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-2-amino-3-phenylpropylcarbamate hydrochloride
CID 141150294
Methyl (2,2,2-trifluoro-1-phenylethyl) carbamate
CID 611751
tert-butyl N-[2-amino-1-(2,4-difluorophenyl)ethyl]carbamate
CID 24688788
tert-butyl N-(2-amino-1-(3,4-difluorophenyl)ethyl)carbamate
CID 24689001
tert-butyl N-(2-amino-1-(3-methylphenyl)ethyl)carbamate
CID 24689059
tert-butyl N-{2-amino-1-[3-(trifluoromethyl)phenyl]ethyl}carbamate
CID 43094068
(2S)-2-acetamido-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 2574789
[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]urea
CID 118753386
Carbamic acid, N-[[3-(aminomethyl)phenyl]methyl]-
CID 104129
N-{1-[3-(trifluoromethyl)phenyl]ethyl}acetamide
CID 47004835
methyl N-(1-p-fluorophenylprop-2-enyl)carbamate
CID 129826077
tert-butyl N-[(2S,3R)-3-amino-1,1,1-trifluoro-3-phenylpropan-2-yl]carbamate
CID 134851512

Frequently Asked Questions

What is the IUPAC name of [2-amino-1-[3-(trifluoromethyl)phenyl]ethyl]carbamic acid;hydrochloride?
The IUPAC name of [2-amino-1-[3-(trifluoromethyl)phenyl]ethyl]carbamic acid;hydrochloride (CID 66611868) is [2-amino-1-[3-(trifluoromethyl)phenyl]ethyl]carbamic acid;hydrochloride.
What is the SMILES notation for [2-amino-1-[3-(trifluoromethyl)phenyl]ethyl]carbamic acid;hydrochloride?
The canonical SMILES for [2-amino-1-[3-(trifluoromethyl)phenyl]ethyl]carbamic acid;hydrochloride is Cl.NCC(NC(=O)O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of [2-amino-1-[3-(trifluoromethyl)phenyl]ethyl]carbamic acid;hydrochloride?
The InChIKey is XHWUOURFRCTUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2.ClH/c11-10(12,13)7-3-1-2-6(4-7)8(5-14)15-9(16)17;/h1-4,8,15H,5,14H2,(H,16,17);1H.
What are the key properties of [2-amino-1-[3-(trifluoromethyl)phenyl]ethyl]carbamic acid;hydrochloride?
[2-amino-1-[3-(trifluoromethyl)phenyl]ethyl]carbamic acid;hydrochloride has a molecular weight of 284.67 g/mol, XLogP of 2.39, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-1-[3-(trifluoromethyl)phenyl]ethyl]carbamic acid;hydrochloride is sourced from PubChem (CID 66611868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).