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

C14H21N3O — CID 62700032

IUPAC1-[(3-aminophenyl)methyl]-3-cyclopropyl-1-propan-2-ylurea
SMILESCC(C)N(Cc1cccc(N)c1)C(=O)NC1CC1
InChIInChI=1S/C14H21N3O/c1-10(2)17(14(18)16-13-6-7-13)9-11-4-3-5-12(15)8-11/h3-5,8,10,13H,6-7,9,15H2,1-2H3,(H,16,18)
InChIKeyHFMSYVYOBXSTLL-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.35
Rot. Bonds4

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

1-[(3-aminophenyl)methyl]-3-cyclopropyl-1-propan-2-ylurea (PubChem CID 62700032) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[(3-aminophenyl)methyl]-3-cyclopropyl-1-propan-2-ylurea.

Molecular Properties

Compound Name1-[(3-aminophenyl)methyl]-3-cyclopropyl-1-propan-2-ylurea
PubChem CID62700032
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-[(3-aminophenyl)methyl]-3-cyclopropyl-1-propan-2-ylurea
SMILESCC(C)N(Cc1cccc(N)c1)C(=O)NC1CC1
InChIInChI=1S/C14H21N3O/c1-10(2)17(14(18)16-13-6-7-13)9-11-4-3-5-12(15)8-11/h3-5,8,10,13H,6-7,9,15H2,1-2H3,(H,16,18)
InChIKeyHFMSYVYOBXSTLL-UHFFFAOYSA-N
XLogP2.35
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[(2-aminophenyl)methyl]-3-cyclopropyl-1-propan-2-ylurea
CID 62700033
1-[(3-aminophenyl)methyl]-3-cyclohexyl-1-cyclopropylurea
CID 43460769
N-[(3-aminophenyl)methyl]-4-hydroxy-N-propan-2-ylbenzamide
CID 43460181
N-[(3-aminophenyl)methyl]-N,2-dicyclopropylpropanamide
CID 83146723
N-[(3-aminophenyl)methyl]-N-propan-2-ylpyridazine-4-carboxamide
CID 104669124
[3-[[cyclohexylcarbamoyl(propan-2-yl)amino]methyl]phenyl] 4-fluorobenzenesulfonate
CID 4617878
N-[(3-aminophenyl)methyl]-3-fluoro-N-propan-2-ylbenzamide
CID 43460200
2-[(3-aminophenyl)methyl-cyclopropylamino]-N-propylpropanamide
CID 43460855
2-(3-aminophenyl)-N-cyclohexylacetamide
CID 28689689
2-(3-aminophenyl)-N-cyclopropylpropanamide
CID 106590663
2-(3-aminophenyl)-N-cycloheptylacetamide
CID 28712073
3-cyclohexyl-1-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-propan-2-ylurea
CID 5214315

Frequently Asked Questions

What is the IUPAC name of 1-[(3-aminophenyl)methyl]-3-cyclopropyl-1-propan-2-ylurea?
The IUPAC name of 1-[(3-aminophenyl)methyl]-3-cyclopropyl-1-propan-2-ylurea (CID 62700032) is 1-[(3-aminophenyl)methyl]-3-cyclopropyl-1-propan-2-ylurea.
What is the SMILES notation for 1-[(3-aminophenyl)methyl]-3-cyclopropyl-1-propan-2-ylurea?
The canonical SMILES for 1-[(3-aminophenyl)methyl]-3-cyclopropyl-1-propan-2-ylurea is CC(C)N(Cc1cccc(N)c1)C(=O)NC1CC1.
What is the InChIKey of 1-[(3-aminophenyl)methyl]-3-cyclopropyl-1-propan-2-ylurea?
The InChIKey is HFMSYVYOBXSTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10(2)17(14(18)16-13-6-7-13)9-11-4-3-5-12(15)8-11/h3-5,8,10,13H,6-7,9,15H2,1-2H3,(H,16,18).
What are the key properties of 1-[(3-aminophenyl)methyl]-3-cyclopropyl-1-propan-2-ylurea?
1-[(3-aminophenyl)methyl]-3-cyclopropyl-1-propan-2-ylurea has a molecular weight of 247.34 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-aminophenyl)methyl]-3-cyclopropyl-1-propan-2-ylurea is sourced from PubChem (CID 62700032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).