(2-amino-1-phenylethyl) carbamate

C9H12N2O2 — CID 57066991

IUPAC(2-amino-1-phenylethyl) carbamate
SMILESNCC(OC(N)=O)c1ccccc1
InChIInChI=1S/C9H12N2O2/c10-6-8(13-9(11)12)7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H2,11,12)
InChIKeyKORQUGKYZSPJEG-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.78
Rot. Bonds3

About (2-amino-1-phenylethyl) carbamate

(2-amino-1-phenylethyl) carbamate (PubChem CID 57066991) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is (2-amino-1-phenylethyl) carbamate.

Molecular Properties

Compound Name(2-amino-1-phenylethyl) carbamate
PubChem CID57066991
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name(2-amino-1-phenylethyl) carbamate
SMILESNCC(OC(N)=O)c1ccccc1
InChIInChI=1S/C9H12N2O2/c10-6-8(13-9(11)12)7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H2,11,12)
InChIKeyKORQUGKYZSPJEG-UHFFFAOYSA-N
XLogP0.78
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-1-phenylethyl) carbamate
CID 175141510
1,3-diphenylpropyl carbamate
CID 154100927
1-phenylbut-3-enyl carbamate
CID 126509930
[3-(methylamino)-3-oxo-1-phenylpropyl] carbamate
CID 175179381
(4-azido-1-phenylbutyl) carbamate
CID 121415286
[amino(phenyl)methyl] carbamate
CID 66688538
[1-phenyl-3-(1-phenylpyrrolidin-1-ium-1-yl)propyl] carbamate
CID 18700388
[2-(3-chlorophenyl)-1-phenylethyl] carbamate
CID 156884464
[3-(2-aminoethylsulfonyl)-1-phenylpropyl] carbamate;2,2,2-trifluoroacetic acid
CID 174892420
[1-phenyl-3-(4-phenylpiperazin-1-yl)propyl] carbamate
CID 67281861
[3-(1-ethylpiperidin-1-ium-1-yl)-1-phenylpropyl] carbamate
CID 54514526
[3-(5-methylimidazol-1-yl)-1-phenylpropyl] carbamate
CID 174613982

Frequently Asked Questions

What is the IUPAC name of (2-amino-1-phenylethyl) carbamate?
The IUPAC name of (2-amino-1-phenylethyl) carbamate (CID 57066991) is (2-amino-1-phenylethyl) carbamate.
What is the SMILES notation for (2-amino-1-phenylethyl) carbamate?
The canonical SMILES for (2-amino-1-phenylethyl) carbamate is NCC(OC(N)=O)c1ccccc1.
What is the InChIKey of (2-amino-1-phenylethyl) carbamate?
The InChIKey is KORQUGKYZSPJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c10-6-8(13-9(11)12)7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H2,11,12).
What are the key properties of (2-amino-1-phenylethyl) carbamate?
(2-amino-1-phenylethyl) carbamate has a molecular weight of 180.21 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1-phenylethyl) carbamate is sourced from PubChem (CID 57066991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).