[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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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).