1-(3-aminopropyl)-3-(2-bromophenyl)urea

C10H14BrN3O — CID 117235774

IUPAC1-(3-aminopropyl)-3-(2-bromophenyl)urea
SMILESNCCCNC(=O)Nc1ccccc1Br
InChIInChI=1S/C10H14BrN3O/c11-8-4-1-2-5-9(8)14-10(15)13-7-3-6-12/h1-2,4-5H,3,6-7,12H2,(H2,13,14,15)
InChIKeyBGOZWHVALJTZIY-UHFFFAOYSA-N
MW272.15 g/mol
LogP1.92
Rot. Bonds4

About 1-(3-aminopropyl)-3-(2-bromophenyl)urea

1-(3-aminopropyl)-3-(2-bromophenyl)urea (PubChem CID 117235774) has the molecular formula C10H14BrN3O and a molecular weight of 272.15 g/mol. Its IUPAC name is 1-(3-aminopropyl)-3-(2-bromophenyl)urea.

Molecular Properties

Compound Name1-(3-aminopropyl)-3-(2-bromophenyl)urea
PubChem CID117235774
Molecular FormulaC10H14BrN3O
Molecular Weight272.15 g/mol
Exact Mass271.03
IUPAC Name1-(3-aminopropyl)-3-(2-bromophenyl)urea
SMILESNCCCNC(=O)Nc1ccccc1Br
InChIInChI=1S/C10H14BrN3O/c11-8-4-1-2-5-9(8)14-10(15)13-7-3-6-12/h1-2,4-5H,3,6-7,12H2,(H2,13,14,15)
InChIKeyBGOZWHVALJTZIY-UHFFFAOYSA-N
XLogP1.92
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3-aminopropyl)-3-(2-bromophenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-aminopropyl)-3-(2-methoxyphenyl)urea
CID 62267554
1-(2-bromophenyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 52590743
1-(3-aminopropyl)-3-pyridin-2-ylurea
CID 110492095
tert-butyl N-[2-[(2-bromophenyl)carbamoylamino]ethyl]carbamate
CID 108864539
3-(3-aminopropylcarbamoylamino)-2-methylbenzoic acid
CID 62947767
1-(2-bromophenyl)-3-(2-hydroxypropyl)urea
CID 117235730
1-(2-aminophenyl)-3-nonylurea
CID 177454724
1-(2-bromophenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea
CID 15989534
1-(3-aminopropyl)-3-[(2-fluorophenyl)methyl]urea
CID 117235553
6-[(2-aminophenyl)carbamoylamino]hexanoic acid
CID 61404398
N,N'-bis(2-bromophenyl)butanediamide
CID 1039657
1-(2-bromophenyl)-3-[2-(N-ethyl-4-methylanilino)ethyl]urea
CID 24768238

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-3-(2-bromophenyl)urea?
The IUPAC name of 1-(3-aminopropyl)-3-(2-bromophenyl)urea (CID 117235774) is 1-(3-aminopropyl)-3-(2-bromophenyl)urea.
What is the SMILES notation for 1-(3-aminopropyl)-3-(2-bromophenyl)urea?
The canonical SMILES for 1-(3-aminopropyl)-3-(2-bromophenyl)urea is NCCCNC(=O)Nc1ccccc1Br.
What is the InChIKey of 1-(3-aminopropyl)-3-(2-bromophenyl)urea?
The InChIKey is BGOZWHVALJTZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O/c11-8-4-1-2-5-9(8)14-10(15)13-7-3-6-12/h1-2,4-5H,3,6-7,12H2,(H2,13,14,15).
What are the key properties of 1-(3-aminopropyl)-3-(2-bromophenyl)urea?
1-(3-aminopropyl)-3-(2-bromophenyl)urea has a molecular weight of 272.15 g/mol, XLogP of 1.92, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-3-(2-bromophenyl)urea is sourced from PubChem (CID 117235774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).