[2-[(1R)-1-aminoethyl]-3-benzyl-5-(trifluoromethyl)phenyl]carbamic acid

C17H17F3N2O2 — CID 175792021

IUPAC[2-[(1R)-1-aminoethyl]-3-benzyl-5-(trifluoromethyl)phenyl]carbamic acid
SMILESC[C@@H](N)c1c(Cc2ccccc2)cc(C(F)(F)F)cc1NC(=O)O
InChIInChI=1S/C17H17F3N2O2/c1-10(21)15-12(7-11-5-3-2-4-6-11)8-13(17(18,19)20)9-14(15)22-16(23)24/h2-6,8-10,22H,7,21H2,1H3,(H,23,24)/t10-/m1/s1
InChIKeyBWDZNJPEXPWODR-SNVBAGLBSA-N
MW338.33 g/mol
LogP4.41
Rot. Bonds4

About [2-[(1R)-1-aminoethyl]-3-benzyl-5-(trifluoromethyl)phenyl]carbamic acid

[2-[(1R)-1-aminoethyl]-3-benzyl-5-(trifluoromethyl)phenyl]carbamic acid (PubChem CID 175792021) has the molecular formula C17H17F3N2O2 and a molecular weight of 338.33 g/mol. Its IUPAC name is [2-[(1R)-1-aminoethyl]-3-benzyl-5-(trifluoromethyl)phenyl]carbamic acid.

Molecular Properties

Compound Name[2-[(1R)-1-aminoethyl]-3-benzyl-5-(trifluoromethyl)phenyl]carbamic acid
PubChem CID175792021
Molecular FormulaC17H17F3N2O2
Molecular Weight338.33 g/mol
Exact Mass338.12
IUPAC Name[2-[(1R)-1-aminoethyl]-3-benzyl-5-(trifluoromethyl)phenyl]carbamic acid
SMILESC[C@@H](N)c1c(Cc2ccccc2)cc(C(F)(F)F)cc1NC(=O)O
InChIInChI=1S/C17H17F3N2O2/c1-10(21)15-12(7-11-5-3-2-4-6-11)8-13(17(18,19)20)9-14(15)22-16(23)24/h2-6,8-10,22H,7,21H2,1H3,(H,23,24)/t10-/m1/s1
InChIKeyBWDZNJPEXPWODR-SNVBAGLBSA-N
XLogP4.41
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[(1R)-1-aminoethyl]-5-(trifluoromethyl)phenyl]carbamic acid
CID 174207086
(2S)-2-amino-N-(2-benzylphenyl)propanamide
CID 770490
1-benzyl-3,5-bis(trifluoromethyl)benzene
CID 11993967
[3,5-bis(trifluoromethyl)phenyl] 2-(phenylmethoxycarbonylamino)propanoate
CID 123792334
carbonic acid;(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 118040884
2-benzyl-N-[3,5-bis(trifluoromethyl)phenyl]-N'-[3-methyl-5-(trifluoromethyl)phenyl]propanediamide
CID 170288135
2-benzyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2399730
2-amino-N-(2-benzylphenyl)-3-methylpentanamide
CID 24700723
2-[2,6-diethyl-4-(trifluoromethyl)phenyl]acetic acid
CID 66707586
benzyl (3R)-3-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]-4-oxobutanoate
CID 58120011
(2R)-2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
CID 40847519
N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-phenylacetamide
CID 113000074

Frequently Asked Questions

What is the IUPAC name of [2-[(1R)-1-aminoethyl]-3-benzyl-5-(trifluoromethyl)phenyl]carbamic acid?
The IUPAC name of [2-[(1R)-1-aminoethyl]-3-benzyl-5-(trifluoromethyl)phenyl]carbamic acid (CID 175792021) is [2-[(1R)-1-aminoethyl]-3-benzyl-5-(trifluoromethyl)phenyl]carbamic acid.
What is the SMILES notation for [2-[(1R)-1-aminoethyl]-3-benzyl-5-(trifluoromethyl)phenyl]carbamic acid?
The canonical SMILES for [2-[(1R)-1-aminoethyl]-3-benzyl-5-(trifluoromethyl)phenyl]carbamic acid is C[C@@H](N)c1c(Cc2ccccc2)cc(C(F)(F)F)cc1NC(=O)O.
What is the InChIKey of [2-[(1R)-1-aminoethyl]-3-benzyl-5-(trifluoromethyl)phenyl]carbamic acid?
The InChIKey is BWDZNJPEXPWODR-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H17F3N2O2/c1-10(21)15-12(7-11-5-3-2-4-6-11)8-13(17(18,19)20)9-14(15)22-16(23)24/h2-6,8-10,22H,7,21H2,1H3,(H,23,24)/t10-/m1/s1.
What are the key properties of [2-[(1R)-1-aminoethyl]-3-benzyl-5-(trifluoromethyl)phenyl]carbamic acid?
[2-[(1R)-1-aminoethyl]-3-benzyl-5-(trifluoromethyl)phenyl]carbamic acid has a molecular weight of 338.33 g/mol, XLogP of 4.41, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1R)-1-aminoethyl]-3-benzyl-5-(trifluoromethyl)phenyl]carbamic acid is sourced from PubChem (CID 175792021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).