(2-amino-6-methylphenyl) N-butylcarbamate

C12H18N2O2 — CID 91044635

IUPAC(2-amino-6-methylphenyl) N-butylcarbamate
SMILESCCCCNC(=O)Oc1c(C)cccc1N
InChIInChI=1S/C12H18N2O2/c1-3-4-8-14-12(15)16-11-9(2)6-5-7-10(11)13/h5-7H,3-4,8,13H2,1-2H3,(H,14,15)
InChIKeyQRSVQFNQQNRAAZ-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.47
Rot. Bonds4

About (2-amino-6-methylphenyl) N-butylcarbamate

(2-amino-6-methylphenyl) N-butylcarbamate (PubChem CID 91044635) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is (2-amino-6-methylphenyl) N-butylcarbamate.

Molecular Properties

Compound Name(2-amino-6-methylphenyl) N-butylcarbamate
PubChem CID91044635
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name(2-amino-6-methylphenyl) N-butylcarbamate
SMILESCCCCNC(=O)Oc1c(C)cccc1N
InChIInChI=1S/C12H18N2O2/c1-3-4-8-14-12(15)16-11-9(2)6-5-7-10(11)13/h5-7H,3-4,8,13H2,1-2H3,(H,14,15)
InChIKeyQRSVQFNQQNRAAZ-UHFFFAOYSA-N
XLogP2.47
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

butylurea;2-methylaniline
CID 175391906
(4-aminophenyl) N-butylcarbamate
CID 126552960
ethyl N-[2-[3-(2,6-dimethylphenoxy)propylcarbamoylamino]ethyl]carbamate
CID 108881896
(2,6-dimethylphenyl) N-[2-(methylamino)ethyl]carbamate
CID 83822836
[3,5-bis(butylcarbamoyloxy)phenyl] N-butylcarbamate
CID 139198999
(2-amino-6-methylphenyl) N,N-dimethylcarbamate
CID 131207405
[4-[4-(butylcarbamoyloxy)phenyl]phenyl] N-butylcarbamate
CID 100978382
2-(2-amino-3-methylphenoxy)-N-butylacetamide
CID 54956172
[3-diphenylphosphanyl-2-(2-diphenylphosphanyl-6-methylphenyl)phenyl] N-butylcarbamate
CID 177467649
[4-(butylcarbamoyloxy)-3-ethoxynaphthalen-1-yl] N-butylcarbamate
CID 19886837
3-(2,6-dimethylphenoxy)propylurea
CID 119091227
1-butyl-3-(2-ethyl-6-methylphenyl)urea
CID 4278345

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-methylphenyl) N-butylcarbamate?
The IUPAC name of (2-amino-6-methylphenyl) N-butylcarbamate (CID 91044635) is (2-amino-6-methylphenyl) N-butylcarbamate.
What is the SMILES notation for (2-amino-6-methylphenyl) N-butylcarbamate?
The canonical SMILES for (2-amino-6-methylphenyl) N-butylcarbamate is CCCCNC(=O)Oc1c(C)cccc1N.
What is the InChIKey of (2-amino-6-methylphenyl) N-butylcarbamate?
The InChIKey is QRSVQFNQQNRAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-4-8-14-12(15)16-11-9(2)6-5-7-10(11)13/h5-7H,3-4,8,13H2,1-2H3,(H,14,15).
What are the key properties of (2-amino-6-methylphenyl) N-butylcarbamate?
(2-amino-6-methylphenyl) N-butylcarbamate has a molecular weight of 222.29 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-methylphenyl) N-butylcarbamate is sourced from PubChem (CID 91044635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).