1-[1-(3-aminophenyl)cyclopropyl]-3-propan-2-ylurea

C13H19N3O — CID 110490986

IUPAC1-[1-(3-aminophenyl)cyclopropyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC1(c2cccc(N)c2)CC1
InChIInChI=1S/C13H19N3O/c1-9(2)15-12(17)16-13(6-7-13)10-4-3-5-11(14)8-10/h3-5,8-9H,6-7,14H2,1-2H3,(H2,15,16,17)
InChIKeyKAJPPSZPNCSHDO-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.97
Rot. Bonds3

About 1-[1-(3-aminophenyl)cyclopropyl]-3-propan-2-ylurea

1-[1-(3-aminophenyl)cyclopropyl]-3-propan-2-ylurea (PubChem CID 110490986) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-[1-(3-aminophenyl)cyclopropyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[1-(3-aminophenyl)cyclopropyl]-3-propan-2-ylurea
PubChem CID110490986
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-[1-(3-aminophenyl)cyclopropyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC1(c2cccc(N)c2)CC1
InChIInChI=1S/C13H19N3O/c1-9(2)15-12(17)16-13(6-7-13)10-4-3-5-11(14)8-10/h3-5,8-9H,6-7,14H2,1-2H3,(H2,15,16,17)
InChIKeyKAJPPSZPNCSHDO-UHFFFAOYSA-N
XLogP1.97
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.97
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-[[1-(3-aminophenyl)cyclopropyl]carbamoylamino]-3-hydroxypropanoic acid
CID 110490983
1-[1-(3-aminophenyl)cyclopropyl]-3-phenylurea
CID 110491033
1-[1-(4-aminophenyl)cyclopentyl]-3-propan-2-ylurea
CID 110490871
1-[1-(3-aminophenyl)cyclopropyl]-3-cyclopropylurea
CID 110490977
1-[1-(3-aminophenyl)cyclopropyl]-3-(2,2-dimethoxyethyl)urea
CID 110491014
tert-butyl N-[1-(3-aminophenyl)cyclobutyl]carbamate
CID 22981091
2-[(1-phenylcyclopentyl)carbamoylamino]propanoic acid
CID 110490888
N-[3-[[1-(3-aminophenyl)cyclopropyl]carbamoylamino]propyl]formamide
CID 110491003
3-amino-N-[1-(3-methylphenyl)cyclopentyl]benzamide
CID 119770621
(2S)-2-amino-N-[1-(3-fluorophenyl)cyclopropyl]propanamide
CID 119332670
1-[1-(3-chlorophenyl)cyclopropyl]-3-(2-hydroxypropyl)urea
CID 110490727
(2S)-2-amino-N-[1-(3-methylphenyl)cyclopentyl]propanamide
CID 119316008

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-aminophenyl)cyclopropyl]-3-propan-2-ylurea?
The IUPAC name of 1-[1-(3-aminophenyl)cyclopropyl]-3-propan-2-ylurea (CID 110490986) is 1-[1-(3-aminophenyl)cyclopropyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[1-(3-aminophenyl)cyclopropyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[1-(3-aminophenyl)cyclopropyl]-3-propan-2-ylurea is CC(C)NC(=O)NC1(c2cccc(N)c2)CC1.
What is the InChIKey of 1-[1-(3-aminophenyl)cyclopropyl]-3-propan-2-ylurea?
The InChIKey is KAJPPSZPNCSHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9(2)15-12(17)16-13(6-7-13)10-4-3-5-11(14)8-10/h3-5,8-9H,6-7,14H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-[1-(3-aminophenyl)cyclopropyl]-3-propan-2-ylurea?
1-[1-(3-aminophenyl)cyclopropyl]-3-propan-2-ylurea has a molecular weight of 233.31 g/mol, XLogP of 1.97, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-aminophenyl)cyclopropyl]-3-propan-2-ylurea is sourced from PubChem (CID 110490986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).