1-[1-(3-aminophenyl)cyclopropyl]-3-phenylurea

C16H17N3O — CID 110491033

IUPAC1-[1-(3-aminophenyl)cyclopropyl]-3-phenylurea
SMILESNc1cccc(C2(NC(=O)Nc3ccccc3)CC2)c1
InChIInChI=1S/C16H17N3O/c17-13-6-4-5-12(11-13)16(9-10-16)19-15(20)18-14-7-2-1-3-8-14/h1-8,11H,9-10,17H2,(H2,18,19,20)
InChIKeyNNDNWTAADZWLHW-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.08
Rot. Bonds3

About 1-[1-(3-aminophenyl)cyclopropyl]-3-phenylurea

1-[1-(3-aminophenyl)cyclopropyl]-3-phenylurea (PubChem CID 110491033) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-[1-(3-aminophenyl)cyclopropyl]-3-phenylurea.

Molecular Properties

Compound Name1-[1-(3-aminophenyl)cyclopropyl]-3-phenylurea
PubChem CID110491033
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name1-[1-(3-aminophenyl)cyclopropyl]-3-phenylurea
SMILESNc1cccc(C2(NC(=O)Nc3ccccc3)CC2)c1
InChIInChI=1S/C16H17N3O/c17-13-6-4-5-12(11-13)16(9-10-16)19-15(20)18-14-7-2-1-3-8-14/h1-8,11H,9-10,17H2,(H2,18,19,20)
InChIKeyNNDNWTAADZWLHW-UHFFFAOYSA-N
XLogP3.08
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.08
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

1-[1-(3-aminophenyl)cyclopropyl]-3-cyclopropylurea
CID 110490977
1-[1-(3-aminophenyl)cyclopropyl]-3-propan-2-ylurea
CID 110490986
2-[[1-(3-aminophenyl)cyclopropyl]carbamoylamino]-3-hydroxypropanoic acid
CID 110490983
1-(4-hydroxyphenyl)-3-(1-phenylcyclopropyl)urea
CID 110469255
1-(3-methoxyphenyl)-3-(1-phenylcyclopropyl)urea
CID 113215113
1-[1-(3-aminophenyl)cyclopropyl]-3-(2,2-dimethoxyethyl)urea
CID 110491014
1-(4-tert-butylphenyl)-3-(1-phenylcyclopropyl)urea
CID 113215100
1-(4-phenoxyphenyl)-3-(1-phenylcyclopropyl)urea
CID 113215141
N-[3-[[1-(3-aminophenyl)cyclopropyl]carbamoylamino]propyl]formamide
CID 110491003
3-[1-[(1-phenylcyclopropyl)amino]ethenyl]aniline
CID 164589703
1-(2,6-dimethylphenyl)-3-(1-phenylcyclopropyl)urea
CID 110469284
1-(1-phenylcyclopropyl)-3-(4-phenylmethoxyphenyl)urea
CID 113215142

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-aminophenyl)cyclopropyl]-3-phenylurea?
The IUPAC name of 1-[1-(3-aminophenyl)cyclopropyl]-3-phenylurea (CID 110491033) is 1-[1-(3-aminophenyl)cyclopropyl]-3-phenylurea.
What is the SMILES notation for 1-[1-(3-aminophenyl)cyclopropyl]-3-phenylurea?
The canonical SMILES for 1-[1-(3-aminophenyl)cyclopropyl]-3-phenylurea is Nc1cccc(C2(NC(=O)Nc3ccccc3)CC2)c1.
What is the InChIKey of 1-[1-(3-aminophenyl)cyclopropyl]-3-phenylurea?
The InChIKey is NNDNWTAADZWLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c17-13-6-4-5-12(11-13)16(9-10-16)19-15(20)18-14-7-2-1-3-8-14/h1-8,11H,9-10,17H2,(H2,18,19,20).
What are the key properties of 1-[1-(3-aminophenyl)cyclopropyl]-3-phenylurea?
1-[1-(3-aminophenyl)cyclopropyl]-3-phenylurea has a molecular weight of 267.33 g/mol, XLogP of 3.08, 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-phenylurea is sourced from PubChem (CID 110491033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).