1-[1-(2-aminophenyl)cyclopropyl]-3-propylurea

C13H19N3O — CID 110491057

IUPAC1-[1-(2-aminophenyl)cyclopropyl]-3-propylurea
SMILESCCCNC(=O)NC1(c2ccccc2N)CC1
InChIInChI=1S/C13H19N3O/c1-2-9-15-12(17)16-13(7-8-13)10-5-3-4-6-11(10)14/h3-6H,2,7-9,14H2,1H3,(H2,15,16,17)
InChIKeyLZJRHYNPDNAHQN-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.97
Rot. Bonds4

About 1-[1-(2-aminophenyl)cyclopropyl]-3-propylurea

1-[1-(2-aminophenyl)cyclopropyl]-3-propylurea (PubChem CID 110491057) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-[1-(2-aminophenyl)cyclopropyl]-3-propylurea.

Molecular Properties

Compound Name1-[1-(2-aminophenyl)cyclopropyl]-3-propylurea
PubChem CID110491057
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-[1-(2-aminophenyl)cyclopropyl]-3-propylurea
SMILESCCCNC(=O)NC1(c2ccccc2N)CC1
InChIInChI=1S/C13H19N3O/c1-2-9-15-12(17)16-13(7-8-13)10-5-3-4-6-11(10)14/h3-6H,2,7-9,14H2,1H3,(H2,15,16,17)
InChIKeyLZJRHYNPDNAHQN-UHFFFAOYSA-N
XLogP1.97
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
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

methyl 2-[[1-(2-aminophenyl)cyclopropyl]carbamoylamino]acetate
CID 110491051
1-[1-(2-aminophenyl)cyclopropyl]-3-butan-2-ylurea
CID 110491079
3-[1-(2-aminophenyl)cyclopropyl]-1,1-dimethylurea
CID 110491045
2-[[1-(2-aminophenyl)cyclopropyl]carbamoylamino]-3-hydroxypropanoic acid
CID 110491055
1-(3-aminopropyl)-3-[1-(2-fluorophenyl)cyclopropyl]urea
CID 110490666
1-pentyl-3-(1-phenylcyclopropyl)urea
CID 110490775
2-amino-6-methyl-N-(1-naphthalen-1-ylcyclopropyl)benzamide
CID 174193126
1-[1-(2-fluorophenyl)cyclobutyl]-3-(2-methoxyethyl)urea
CID 110469859
2-[[1-(2-bromophenyl)cyclopropyl]amino]-N-propylacetamide
CID 75515851
methyl 3-[[1-(4-aminophenyl)cyclopropyl]carbamoylamino]propanoate
CID 110490928
2-amino-N-[3-oxo-3-(propylamino)propyl]benzamide;hydrochloride
CID 119944917
N-[1-(2-fluorophenyl)cyclopropyl]propanamide
CID 110477459

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-aminophenyl)cyclopropyl]-3-propylurea?
The IUPAC name of 1-[1-(2-aminophenyl)cyclopropyl]-3-propylurea (CID 110491057) is 1-[1-(2-aminophenyl)cyclopropyl]-3-propylurea.
What is the SMILES notation for 1-[1-(2-aminophenyl)cyclopropyl]-3-propylurea?
The canonical SMILES for 1-[1-(2-aminophenyl)cyclopropyl]-3-propylurea is CCCNC(=O)NC1(c2ccccc2N)CC1.
What is the InChIKey of 1-[1-(2-aminophenyl)cyclopropyl]-3-propylurea?
The InChIKey is LZJRHYNPDNAHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-2-9-15-12(17)16-13(7-8-13)10-5-3-4-6-11(10)14/h3-6H,2,7-9,14H2,1H3,(H2,15,16,17).
What are the key properties of 1-[1-(2-aminophenyl)cyclopropyl]-3-propylurea?
1-[1-(2-aminophenyl)cyclopropyl]-3-propylurea has a molecular weight of 233.31 g/mol, XLogP of 1.97, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-aminophenyl)cyclopropyl]-3-propylurea is sourced from PubChem (CID 110491057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).