(4-amino-3,5-dimethylphenyl) carbamate

C9H12N2O2 — CID 175292870

IUPAC(4-amino-3,5-dimethylphenyl) carbamate
SMILESCc1cc(OC(N)=O)cc(C)c1N
InChIInChI=1S/C9H12N2O2/c1-5-3-7(13-9(11)12)4-6(2)8(5)10/h3-4H,10H2,1-2H3,(H2,11,12)
InChIKeyMMMVSTBBPZVNND-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.34
Rot. Bonds1

About (4-amino-3,5-dimethylphenyl) carbamate

(4-amino-3,5-dimethylphenyl) carbamate (PubChem CID 175292870) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is (4-amino-3,5-dimethylphenyl) carbamate.

Molecular Properties

Compound Name(4-amino-3,5-dimethylphenyl) carbamate
PubChem CID175292870
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name(4-amino-3,5-dimethylphenyl) carbamate
SMILESCc1cc(OC(N)=O)cc(C)c1N
InChIInChI=1S/C9H12N2O2/c1-5-3-7(13-9(11)12)4-6(2)8(5)10/h3-4H,10H2,1-2H3,(H2,11,12)
InChIKeyMMMVSTBBPZVNND-UHFFFAOYSA-N
XLogP1.34
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.34
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

(3,4-dimethoxy-5-methylphenyl) carbamate
CID 137496304
(4-amino-3,5-dimethylphenyl) N-prop-2-ynylcarbamate
CID 174591659
(4-ethyl-3-methylphenyl) carbamate
CID 3027931
(3,5-dibromophenyl) carbamate
CID 175177777
(3-chloro-4-methylphenyl) carbamate
CID 18431892
(3-amino-2,4,6-trimethylphenyl) acetate
CID 10797860
(2,5-dichloro-4-methylphenyl) carbamate
CID 175535955
(4-butanoyloxy-3,5-dimethylphenyl) butanoate
CID 54238808
(4-chloro-3,5-dimethylphenyl) 2,2-dichloroacetate
CID 19170504
(5-hydroxy-2-methylphenyl) carbamate
CID 68724844
(3-amino-4-methylphenyl) acetate
CID 66838768
4-(difluoromethoxy)-2,6-dimethylaniline;hydrochloride
CID 117071645

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,5-dimethylphenyl) carbamate?
The IUPAC name of (4-amino-3,5-dimethylphenyl) carbamate (CID 175292870) is (4-amino-3,5-dimethylphenyl) carbamate.
What is the SMILES notation for (4-amino-3,5-dimethylphenyl) carbamate?
The canonical SMILES for (4-amino-3,5-dimethylphenyl) carbamate is Cc1cc(OC(N)=O)cc(C)c1N.
What is the InChIKey of (4-amino-3,5-dimethylphenyl) carbamate?
The InChIKey is MMMVSTBBPZVNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-5-3-7(13-9(11)12)4-6(2)8(5)10/h3-4H,10H2,1-2H3,(H2,11,12).
What are the key properties of (4-amino-3,5-dimethylphenyl) carbamate?
(4-amino-3,5-dimethylphenyl) carbamate has a molecular weight of 180.21 g/mol, XLogP of 1.34, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,5-dimethylphenyl) carbamate is sourced from PubChem (CID 175292870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).