(2-amino-4-fluorophenyl)methyl carbamate

C8H9FN2O2 — CID 175219005

IUPAC(2-amino-4-fluorophenyl)methyl carbamate
SMILESNC(=O)OCc1ccc(F)cc1N
InChIInChI=1S/C8H9FN2O2/c9-6-2-1-5(7(10)3-6)4-13-8(11)12/h1-3H,4,10H2,(H2,11,12)
InChIKeyPCYJWHBVZAOBHD-UHFFFAOYSA-N
MW184.17 g/mol
LogP1.00
Rot. Bonds2

About (2-amino-4-fluorophenyl)methyl carbamate

(2-amino-4-fluorophenyl)methyl carbamate (PubChem CID 175219005) has the molecular formula C8H9FN2O2 and a molecular weight of 184.17 g/mol. Its IUPAC name is (2-amino-4-fluorophenyl)methyl carbamate.

Molecular Properties

Compound Name(2-amino-4-fluorophenyl)methyl carbamate
PubChem CID175219005
Molecular FormulaC8H9FN2O2
Molecular Weight184.17 g/mol
Exact Mass184.06
IUPAC Name(2-amino-4-fluorophenyl)methyl carbamate
SMILESNC(=O)OCc1ccc(F)cc1N
InChIInChI=1S/C8H9FN2O2/c9-6-2-1-5(7(10)3-6)4-13-8(11)12/h1-3H,4,10H2,(H2,11,12)
InChIKeyPCYJWHBVZAOBHD-UHFFFAOYSA-N
XLogP1.00
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

Mls002920660
CID 291832
Carbamic acid, (2-methylphenyl)-, phenylmethyl ester
CID 895304
2-Methoxymethyl-p-phenylenediamine
CID 9793859
2-(Methoxymethyl)aniline
CID 12334306
2-(((2-Aminophenyl)methoxy)methyl)aniline
CID 12618671
(3-Fluorophenyl)carbamic acid benzyl ester
CID 895321
p-Aminobenzyl carbamate
CID 22569099
2-(1-Ethoxy-1,2,2,3,3,4,4,4-octafluorobutyl)aniline
CID 131851352
2-[(Tert-butoxy)methyl]aniline
CID 28995272
3-Fluoro-2-(methoxymethyl)aniline
CID 63331648
Formic acid 3-amino-benzyl ester
CID 4477876
benzyl N-(3-fluoro-2-methylphenyl)carbamate
CID 1518780

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-fluorophenyl)methyl carbamate?
The IUPAC name of (2-amino-4-fluorophenyl)methyl carbamate (CID 175219005) is (2-amino-4-fluorophenyl)methyl carbamate.
What is the SMILES notation for (2-amino-4-fluorophenyl)methyl carbamate?
The canonical SMILES for (2-amino-4-fluorophenyl)methyl carbamate is NC(=O)OCc1ccc(F)cc1N.
What is the InChIKey of (2-amino-4-fluorophenyl)methyl carbamate?
The InChIKey is PCYJWHBVZAOBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O2/c9-6-2-1-5(7(10)3-6)4-13-8(11)12/h1-3H,4,10H2,(H2,11,12).
What are the key properties of (2-amino-4-fluorophenyl)methyl carbamate?
(2-amino-4-fluorophenyl)methyl carbamate has a molecular weight of 184.17 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-fluorophenyl)methyl carbamate is sourced from PubChem (CID 175219005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).