[4-(ethylamino)phenyl]carbamic acid

C9H12N2O2 — CID 122640243

IUPAC[4-(ethylamino)phenyl]carbamic acid
SMILESCCNc1ccc(NC(=O)O)cc1
InChIInChI=1S/C9H12N2O2/c1-2-10-7-3-5-8(6-4-7)11-9(12)13/h3-6,10-11H,2H2,1H3,(H,12,13)
InChIKeyYZMFDJIAUROJQR-UHFFFAOYSA-N
MW180.21 g/mol
LogP2.21
Rot. Bonds3

About [4-(ethylamino)phenyl]carbamic acid

[4-(ethylamino)phenyl]carbamic acid (PubChem CID 122640243) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is [4-(ethylamino)phenyl]carbamic acid.

Molecular Properties

Compound Name[4-(ethylamino)phenyl]carbamic acid
PubChem CID122640243
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name[4-(ethylamino)phenyl]carbamic acid
SMILESCCNc1ccc(NC(=O)O)cc1
InChIInChI=1S/C9H12N2O2/c1-2-10-7-3-5-8(6-4-7)11-9(12)13/h3-6,10-11H,2H2,1H3,(H,12,13)
InChIKeyYZMFDJIAUROJQR-UHFFFAOYSA-N
XLogP2.21
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(ethylamino)phenyl]benzamide
CID 71038629
bis[4-(ethylamino)phenyl]methanone
CID 157337395
(4-propanoylphenyl)carbamic acid
CID 122623771
[4-(ethylcarbamoyl)phenyl]carbamic acid;propane
CID 142227182
N-ethylaniline;propanedioic acid
CID 67742199
bis(4-(ethylamino)benzoic acid);propane-1,3-diol
CID 175444404
N,4-diethylaniline
CID 6429431
[4-(propoxycarbonylamino)phenyl]carbamic acid
CID 70130219
4-(ethylamino)-N-(4-propan-2-ylphenyl)benzamide
CID 62171719
bis(N-ethylaniline);sulfuric acid
CID 172710683
[4-[(2-bromoacetyl)amino]phenyl]carbamic acid
CID 18543497
[4-(ethylamino)phenyl] acetate
CID 15120452

Frequently Asked Questions

What is the IUPAC name of [4-(ethylamino)phenyl]carbamic acid?
The IUPAC name of [4-(ethylamino)phenyl]carbamic acid (CID 122640243) is [4-(ethylamino)phenyl]carbamic acid.
What is the SMILES notation for [4-(ethylamino)phenyl]carbamic acid?
The canonical SMILES for [4-(ethylamino)phenyl]carbamic acid is CCNc1ccc(NC(=O)O)cc1.
What is the InChIKey of [4-(ethylamino)phenyl]carbamic acid?
The InChIKey is YZMFDJIAUROJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-2-10-7-3-5-8(6-4-7)11-9(12)13/h3-6,10-11H,2H2,1H3,(H,12,13).
What are the key properties of [4-(ethylamino)phenyl]carbamic acid?
[4-(ethylamino)phenyl]carbamic acid has a molecular weight of 180.21 g/mol, XLogP of 2.21, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethylamino)phenyl]carbamic acid is sourced from PubChem (CID 122640243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).