[amino(phenyl)methyl] carbamate

C8H10N2O2 — CID 66688538

IUPAC[amino(phenyl)methyl] carbamate
SMILESNC(=O)OC(N)c1ccccc1
InChIInChI=1S/C8H10N2O2/c9-7(12-8(10)11)6-4-2-1-3-5-6/h1-5,7H,9H2,(H2,10,11)
InChIKeyNLWGJLDXMMCNKN-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.74
Rot. Bonds2

About [amino(phenyl)methyl] carbamate

[amino(phenyl)methyl] carbamate (PubChem CID 66688538) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is [amino(phenyl)methyl] carbamate.

Molecular Properties

Compound Name[amino(phenyl)methyl] carbamate
PubChem CID66688538
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name[amino(phenyl)methyl] carbamate
SMILESNC(=O)OC(N)c1ccccc1
InChIInChI=1S/C8H10N2O2/c9-7(12-8(10)11)6-4-2-1-3-5-6/h1-5,7H,9H2,(H2,10,11)
InChIKeyNLWGJLDXMMCNKN-UHFFFAOYSA-N
XLogP0.74
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2-amino-1-phenylethyl) carbamate
CID 57066991
(2-bromo-1-phenylethyl) carbamate
CID 175141510
[3-(methylamino)-3-oxo-1-phenylpropyl] carbamate
CID 175179381
benzhydryl 2,2-dihydroxyacetate
CID 11076121
[(3S)-3-amino-3-phenylpropyl] carbamate
CID 90391967
3-phenylpentan-2-yl carbamate
CID 70616482
1,3-diphenylpropyl carbamate
CID 154100927
1-phenylbut-3-enyl carbamate
CID 126509930
2-amino-2-phenylacetic acid;carbamic acid
CID 159174170
(1R)-1-phenylethanamine;propan-2-one
CID 54416751
2-amino-2-phenylacetic acid;benzene
CID 18446848
(2R)-2-amino-2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)acetic acid
CID 71309299

Frequently Asked Questions

What is the IUPAC name of [amino(phenyl)methyl] carbamate?
The IUPAC name of [amino(phenyl)methyl] carbamate (CID 66688538) is [amino(phenyl)methyl] carbamate.
What is the SMILES notation for [amino(phenyl)methyl] carbamate?
The canonical SMILES for [amino(phenyl)methyl] carbamate is NC(=O)OC(N)c1ccccc1.
What is the InChIKey of [amino(phenyl)methyl] carbamate?
The InChIKey is NLWGJLDXMMCNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c9-7(12-8(10)11)6-4-2-1-3-5-6/h1-5,7H,9H2,(H2,10,11).
What are the key properties of [amino(phenyl)methyl] carbamate?
[amino(phenyl)methyl] carbamate has a molecular weight of 166.18 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [amino(phenyl)methyl] carbamate is sourced from PubChem (CID 66688538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).