carbamic acid;2-methylaniline

C8H12N2O2 — CID 70556029

IUPACcarbamic acid;2-methylaniline
SMILESCc1ccccc1N.NC(=O)O
InChIInChI=1S/C7H9N.CH3NO2/c1-6-4-2-3-5-7(6)8;2-1(3)4/h2-5H,8H2,1H3;2H2,(H,3,4)
InChIKeyMRRGUONLNZUWET-UHFFFAOYSA-N
MW168.20 g/mol
LogP1.20
Rot. Bonds

About carbamic acid;2-methylaniline

carbamic acid;2-methylaniline (PubChem CID 70556029) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is carbamic acid;2-methylaniline.

Molecular Properties

Compound Namecarbamic acid;2-methylaniline
PubChem CID70556029
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Namecarbamic acid;2-methylaniline
SMILESCc1ccccc1N.NC(=O)O
InChIInChI=1S/C7H9N.CH3NO2/c1-6-4-2-3-5-7(6)8;2-1(3)4/h2-5H,8H2,1H3;2H2,(H,3,4)
InChIKeyMRRGUONLNZUWET-UHFFFAOYSA-N
XLogP1.20
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbamic acid;2-methylaniline?
The IUPAC name of carbamic acid;2-methylaniline (CID 70556029) is carbamic acid;2-methylaniline.
What is the SMILES notation for carbamic acid;2-methylaniline?
The canonical SMILES for carbamic acid;2-methylaniline is Cc1ccccc1N.NC(=O)O.
What is the InChIKey of carbamic acid;2-methylaniline?
The InChIKey is MRRGUONLNZUWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.CH3NO2/c1-6-4-2-3-5-7(6)8;2-1(3)4/h2-5H,8H2,1H3;2H2,(H,3,4).
What are the key properties of carbamic acid;2-methylaniline?
carbamic acid;2-methylaniline has a molecular weight of 168.20 g/mol, XLogP of 1.20, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbamic acid;2-methylaniline is sourced from PubChem (CID 70556029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).