N-[3-(2-bromophenyl)propyl]cyclopropanamine

C12H16BrN — CID 62528627

IUPACN-[3-(2-bromophenyl)propyl]cyclopropanamine
SMILESBrc1ccccc1CCCNC1CC1
InChIInChI=1S/C12H16BrN/c13-12-6-2-1-4-10(12)5-3-9-14-11-7-8-11/h1-2,4,6,11,14H,3,5,7-9H2
InChIKeyLELGCXFFYAZRRH-UHFFFAOYSA-N
MW254.17 g/mol
LogP3.13
Rot. Bonds5

About N-[3-(2-bromophenyl)propyl]cyclopropanamine

N-[3-(2-bromophenyl)propyl]cyclopropanamine (PubChem CID 62528627) has the molecular formula C12H16BrN and a molecular weight of 254.17 g/mol. Its IUPAC name is N-[3-(2-bromophenyl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(2-bromophenyl)propyl]cyclopropanamine
PubChem CID62528627
Molecular FormulaC12H16BrN
Molecular Weight254.17 g/mol
Exact Mass253.05
IUPAC NameN-[3-(2-bromophenyl)propyl]cyclopropanamine
SMILESBrc1ccccc1CCCNC1CC1
InChIInChI=1S/C12H16BrN/c13-12-6-2-1-4-10(12)5-3-9-14-11-7-8-11/h1-2,4,6,11,14H,3,5,7-9H2
InChIKeyLELGCXFFYAZRRH-UHFFFAOYSA-N
XLogP3.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[3-(2-bromophenyl)propyl]cyclopropanamine 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

N-[2-(2-bromophenyl)ethyl]oxan-4-amine
CID 115653013
N'-[2-(2-bromophenyl)ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine
CID 115207157
4-[2-(2-bromophenyl)ethylamino]cyclohexane-1-carbonitrile
CID 115150280
N'-[(2-bromophenyl)methyl]-N-cyclopropyl-N'-methylbutane-1,4-diamine
CID 62437312
2-(2-bromophenyl)-N-[2-(cyclopropylamino)ethyl]acetamide;hydrochloride
CID 86813788
1-bromo-2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]benzene
CID 106051888
N-[2-(2-bromophenyl)ethyl]-1,1-dioxothiolan-3-amine;hydrochloride
CID 45158528
N-(3-isoquinolin-4-ylpropyl)cyclopropanamine
CID 64506104
N-[2-[(2-bromophenyl)methoxy]ethyl]cyclohexanamine
CID 82825189
N-(2-bromophenyl)-4-(cyclopropylamino)butane-1-sulfonamide
CID 106061301
4-[(2-bromophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 60810049
3-(2-bromophenyl)-N-(2-methoxyethyl)propan-1-amine
CID 62603094

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-bromophenyl)propyl]cyclopropanamine?
The IUPAC name of N-[3-(2-bromophenyl)propyl]cyclopropanamine (CID 62528627) is N-[3-(2-bromophenyl)propyl]cyclopropanamine.
What is the SMILES notation for N-[3-(2-bromophenyl)propyl]cyclopropanamine?
The canonical SMILES for N-[3-(2-bromophenyl)propyl]cyclopropanamine is Brc1ccccc1CCCNC1CC1.
What is the InChIKey of N-[3-(2-bromophenyl)propyl]cyclopropanamine?
The InChIKey is LELGCXFFYAZRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN/c13-12-6-2-1-4-10(12)5-3-9-14-11-7-8-11/h1-2,4,6,11,14H,3,5,7-9H2.
What are the key properties of N-[3-(2-bromophenyl)propyl]cyclopropanamine?
N-[3-(2-bromophenyl)propyl]cyclopropanamine has a molecular weight of 254.17 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-bromophenyl)propyl]cyclopropanamine is sourced from PubChem (CID 62528627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).