carbamic acid;3-methyl-4-phenylaniline

C14H16N2O2 — CID 175552466

IUPACcarbamic acid;3-methyl-4-phenylaniline
SMILESCc1cc(N)ccc1-c1ccccc1.NC(=O)O
InChIInChI=1S/C13H13N.CH3NO2/c1-10-9-12(14)7-8-13(10)11-5-3-2-4-6-11;2-1(3)4/h2-9H,14H2,1H3;2H2,(H,3,4)
InChIKeySDCBIYZXRFNSNS-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.87
Rot. Bonds1

About carbamic acid;3-methyl-4-phenylaniline

carbamic acid;3-methyl-4-phenylaniline (PubChem CID 175552466) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is carbamic acid;3-methyl-4-phenylaniline.

Molecular Properties

Compound Namecarbamic acid;3-methyl-4-phenylaniline
PubChem CID175552466
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Namecarbamic acid;3-methyl-4-phenylaniline
SMILESCc1cc(N)ccc1-c1ccccc1.NC(=O)O
InChIInChI=1S/C13H13N.CH3NO2/c1-10-9-12(14)7-8-13(10)11-5-3-2-4-6-11;2-1(3)4/h2-9H,14H2,1H3;2H2,(H,3,4)
InChIKeySDCBIYZXRFNSNS-UHFFFAOYSA-N
XLogP2.87
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5-dimethyl-4-phenylbenzamide
CID 174491618
bis(4-amino-2-phenylphenyl)methanone
CID 70118096
2-(3-methyl-4-phenylphenyl)acetic acid
CID 18793942
2-methyl-1-phenyl-4-(2-phenylphenyl)benzene
CID 59171665
2-fluoro-5-methyl-4-phenylbenzamide
CID 171905692
methyl 4-amino-2-phenylbenzoate
CID 15406988
2-(4-amino-2-methylphenyl)benzene-1,4-dicarboxamide
CID 174919262
4-(2-bromophenyl)-3-methylaniline
CID 115503554
2,6-dimethyl-3-phenylbenzamide;hydrochloride
CID 175606974
acetic acid;2-methylbicyclo[2.2.0]hexa-1,3,5-triene
CID 70501688
methyl 2-amino-4-methyl-5-phenylbenzoate
CID 113445321
3-chloro-4-phenylaniline;hydrochloride
CID 91622859

Frequently Asked Questions

What is the IUPAC name of carbamic acid;3-methyl-4-phenylaniline?
The IUPAC name of carbamic acid;3-methyl-4-phenylaniline (CID 175552466) is carbamic acid;3-methyl-4-phenylaniline.
What is the SMILES notation for carbamic acid;3-methyl-4-phenylaniline?
The canonical SMILES for carbamic acid;3-methyl-4-phenylaniline is Cc1cc(N)ccc1-c1ccccc1.NC(=O)O.
What is the InChIKey of carbamic acid;3-methyl-4-phenylaniline?
The InChIKey is SDCBIYZXRFNSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N.CH3NO2/c1-10-9-12(14)7-8-13(10)11-5-3-2-4-6-11;2-1(3)4/h2-9H,14H2,1H3;2H2,(H,3,4).
What are the key properties of carbamic acid;3-methyl-4-phenylaniline?
carbamic acid;3-methyl-4-phenylaniline has a molecular weight of 244.29 g/mol, XLogP of 2.87, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbamic acid;3-methyl-4-phenylaniline is sourced from PubChem (CID 175552466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).