1-(4-aminophenyl)-3-(2,2-dimethylpropyl)urea

C12H19N3O — CID 61167083

IUPAC1-(4-aminophenyl)-3-(2,2-dimethylpropyl)urea
SMILESCC(C)(C)CNC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C12H19N3O/c1-12(2,3)8-14-11(16)15-10-6-4-9(13)5-7-10/h4-7H,8,13H2,1-3H3,(H2,14,15,16)
InChIKeyFOFQMVFYNOPERW-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.44
Rot. Bonds2

About 1-(4-aminophenyl)-3-(2,2-dimethylpropyl)urea

1-(4-aminophenyl)-3-(2,2-dimethylpropyl)urea (PubChem CID 61167083) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(4-aminophenyl)-3-(2,2-dimethylpropyl)urea.

Molecular Properties

Compound Name1-(4-aminophenyl)-3-(2,2-dimethylpropyl)urea
PubChem CID61167083
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-(4-aminophenyl)-3-(2,2-dimethylpropyl)urea
SMILESCC(C)(C)CNC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C12H19N3O/c1-12(2,3)8-14-11(16)15-10-6-4-9(13)5-7-10/h4-7H,8,13H2,1-3H3,(H2,14,15,16)
InChIKeyFOFQMVFYNOPERW-UHFFFAOYSA-N
XLogP2.44
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[(4-aminophenyl)carbamoylamino]-N,2,2-trimethylpropanamide
CID 106278266
1-(2,2-dimethylpropyl)-3-(4-methylsulfonylphenyl)urea
CID 110774671
1-(2,2-dimethylpropyl)-3-[4-[1-(methylamino)ethyl]phenyl]urea
CID 61341881
1-(4-aminophenyl)-3-butylurea
CID 28785616
1-(4-aminophenyl)-3-(2-chloroethyl)urea
CID 108896976
1-(4-aminophenyl)-3-[2-(carbamoylamino)ethyl]urea
CID 83121373
1-(4-aminophenyl)-3-prop-2-enylurea
CID 47002126
1-[4-(4-acetylpiperazin-1-yl)phenyl]-3-(2,2-dimethylpropyl)urea
CID 110673110
1-(2,2-dimethylpropyl)-3-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]urea
CID 110666800
1-[4-(2,2-dimethylpropylamino)phenyl]-3-methylurea
CID 61324339
1-(2,2-dimethylpropyl)-3-(4-methoxy-3-methylphenyl)urea
CID 110774460
1-(2,2-dimethylpropyl)-3-pyridin-3-ylurea
CID 15665739

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-3-(2,2-dimethylpropyl)urea?
The IUPAC name of 1-(4-aminophenyl)-3-(2,2-dimethylpropyl)urea (CID 61167083) is 1-(4-aminophenyl)-3-(2,2-dimethylpropyl)urea.
What is the SMILES notation for 1-(4-aminophenyl)-3-(2,2-dimethylpropyl)urea?
The canonical SMILES for 1-(4-aminophenyl)-3-(2,2-dimethylpropyl)urea is CC(C)(C)CNC(=O)Nc1ccc(N)cc1.
What is the InChIKey of 1-(4-aminophenyl)-3-(2,2-dimethylpropyl)urea?
The InChIKey is FOFQMVFYNOPERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-12(2,3)8-14-11(16)15-10-6-4-9(13)5-7-10/h4-7H,8,13H2,1-3H3,(H2,14,15,16).
What are the key properties of 1-(4-aminophenyl)-3-(2,2-dimethylpropyl)urea?
1-(4-aminophenyl)-3-(2,2-dimethylpropyl)urea has a molecular weight of 221.30 g/mol, XLogP of 2.44, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-3-(2,2-dimethylpropyl)urea is sourced from PubChem (CID 61167083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).