[3-(methylamino)phenyl]carbamic acid

C8H10N2O2 — CID 66771222

IUPAC[3-(methylamino)phenyl]carbamic acid
SMILESCNc1cccc(NC(=O)O)c1
InChIInChI=1S/C8H10N2O2/c1-9-6-3-2-4-7(5-6)10-8(11)12/h2-5,9-10H,1H3,(H,11,12)
InChIKeySJUXBYKFMFESSU-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.82
Rot. Bonds2

About [3-(methylamino)phenyl]carbamic acid

[3-(methylamino)phenyl]carbamic acid (PubChem CID 66771222) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is [3-(methylamino)phenyl]carbamic acid.

Molecular Properties

Compound Name[3-(methylamino)phenyl]carbamic acid
PubChem CID66771222
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name[3-(methylamino)phenyl]carbamic acid
SMILESCNc1cccc(NC(=O)O)c1
InChIInChI=1S/C8H10N2O2/c1-9-6-3-2-4-7(5-6)10-8(11)12/h2-5,9-10H,1H3,(H,11,12)
InChIKeySJUXBYKFMFESSU-UHFFFAOYSA-N
XLogP1.82
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(methylamino)phenyl]urea
CID 23558981
[3-(dimethylamino)phenyl]carbamic acid
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[3-(ethoxycarbonylamino)phenyl]carbamic acid
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(3-phenylphenyl)carbamic acid
CID 611602
3-(methylamino)benzoic acid;hydrochloride
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(3-fluorophenyl)carbamic acid;hydrochloride
CID 70589934
1-N,3-N-bis[3-(methylamino)phenyl]benzene-1,3-dicarboxamide;1-N,4-N-bis[4-(methylamino)phenyl]benzene-1,4-dicarboxamide
CID 158849064
[3-(methylamino)phenyl]-phenylmethanone
CID 19894083
2-methylpropyl N-[3-(methylamino)phenyl]carbamate
CID 71219513
3-(methylamino)benzamide
CID 18727714
[3-[(2-methylpropan-2-yl)oxy]phenyl]carbamic acid
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CID 70918703

Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)phenyl]carbamic acid?
The IUPAC name of [3-(methylamino)phenyl]carbamic acid (CID 66771222) is [3-(methylamino)phenyl]carbamic acid.
What is the SMILES notation for [3-(methylamino)phenyl]carbamic acid?
The canonical SMILES for [3-(methylamino)phenyl]carbamic acid is CNc1cccc(NC(=O)O)c1.
What is the InChIKey of [3-(methylamino)phenyl]carbamic acid?
The InChIKey is SJUXBYKFMFESSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-9-6-3-2-4-7(5-6)10-8(11)12/h2-5,9-10H,1H3,(H,11,12).
What are the key properties of [3-(methylamino)phenyl]carbamic acid?
[3-(methylamino)phenyl]carbamic acid has a molecular weight of 166.18 g/mol, XLogP of 1.82, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)phenyl]carbamic acid is sourced from PubChem (CID 66771222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).