N-[2-(3-bromophenyl)-4-(3-methoxypropoxy)butyl]cyclopropanamine

C17H26BrNO2 — CID 103183703

IUPACN-[2-(3-bromophenyl)-4-(3-methoxypropoxy)butyl]cyclopropanamine
SMILESCOCCCOCCC(CNC1CC1)c1cccc(Br)c1
InChIInChI=1S/C17H26BrNO2/c1-20-9-3-10-21-11-8-15(13-19-17-6-7-17)14-4-2-5-16(18)12-14/h2,4-5,12,15,17,19H,3,6-11,13H2,1H3
InChIKeySEAXDDDHNUTWFT-UHFFFAOYSA-N
MW356.30 g/mol
LogP3.73
Rot. Bonds11

About N-[2-(3-bromophenyl)-4-(3-methoxypropoxy)butyl]cyclopropanamine

N-[2-(3-bromophenyl)-4-(3-methoxypropoxy)butyl]cyclopropanamine (PubChem CID 103183703) has the molecular formula C17H26BrNO2 and a molecular weight of 356.30 g/mol. Its IUPAC name is N-[2-(3-bromophenyl)-4-(3-methoxypropoxy)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(3-bromophenyl)-4-(3-methoxypropoxy)butyl]cyclopropanamine
PubChem CID103183703
Molecular FormulaC17H26BrNO2
Molecular Weight356.30 g/mol
Exact Mass355.11
IUPAC NameN-[2-(3-bromophenyl)-4-(3-methoxypropoxy)butyl]cyclopropanamine
SMILESCOCCCOCCC(CNC1CC1)c1cccc(Br)c1
InChIInChI=1S/C17H26BrNO2/c1-20-9-3-10-21-11-8-15(13-19-17-6-7-17)14-4-2-5-16(18)12-14/h2,4-5,12,15,17,19H,3,6-11,13H2,1H3
InChIKeySEAXDDDHNUTWFT-UHFFFAOYSA-N
XLogP3.73
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(3-bromophenyl)-4-(3-methoxypropoxy)butyl]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-(3-bromophenyl)-6-methoxyhexyl]cyclopropanamine
CID 104649495
N-[4-(2-methoxyethoxy)-2-(3-methylphenyl)butyl]cyclopropanamine
CID 79417115
N-[2-(3-bromophenyl)-5-methylhexyl]cyclopropanamine
CID 79443132
2-(3-bromophenyl)-3-(cyclopropylamino)propan-1-ol
CID 117242819
N-[2-(2-fluorophenyl)-4-(3-methoxypropoxy)butyl]cyclopropanamine
CID 103183708
2-(3-bromophenyl)-N-ethyl-5-methoxypentan-1-amine
CID 79442906
2-(3-bromophenyl)-N-(2-methoxyethyl)-4-(2-methylpropoxy)butan-1-amine
CID 106457166
1-(3-bromophenyl)-N-[2-(3-methoxypropoxy)ethyl]ethanamine
CID 103178663
2-(3-bromophenyl)-2-[3-(2-methoxyethoxy)propoxy]-N-methylethanamine
CID 103405191
2-(3-bromophenyl)-5-methoxypentan-1-amine
CID 79442544
N-[2-(3-bromophenyl)-3-(oxan-4-yl)propyl]cyclopropanamine
CID 79442605
N-[2-(3-bromophenyl)-3-(5-ethylthiophen-2-yl)propyl]cyclopropanamine
CID 79430577

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenyl)-4-(3-methoxypropoxy)butyl]cyclopropanamine?
The IUPAC name of N-[2-(3-bromophenyl)-4-(3-methoxypropoxy)butyl]cyclopropanamine (CID 103183703) is N-[2-(3-bromophenyl)-4-(3-methoxypropoxy)butyl]cyclopropanamine.
What is the SMILES notation for N-[2-(3-bromophenyl)-4-(3-methoxypropoxy)butyl]cyclopropanamine?
The canonical SMILES for N-[2-(3-bromophenyl)-4-(3-methoxypropoxy)butyl]cyclopropanamine is COCCCOCCC(CNC1CC1)c1cccc(Br)c1.
What is the InChIKey of N-[2-(3-bromophenyl)-4-(3-methoxypropoxy)butyl]cyclopropanamine?
The InChIKey is SEAXDDDHNUTWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO2/c1-20-9-3-10-21-11-8-15(13-19-17-6-7-17)14-4-2-5-16(18)12-14/h2,4-5,12,15,17,19H,3,6-11,13H2,1H3.
What are the key properties of N-[2-(3-bromophenyl)-4-(3-methoxypropoxy)butyl]cyclopropanamine?
N-[2-(3-bromophenyl)-4-(3-methoxypropoxy)butyl]cyclopropanamine has a molecular weight of 356.30 g/mol, XLogP of 3.73, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromophenyl)-4-(3-methoxypropoxy)butyl]cyclopropanamine is sourced from PubChem (CID 103183703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).