2-(2-bromophenyl)-4-(3-methoxypropoxy)-N-methylbutan-1-amine

C15H24BrNO2 — CID 103183720

IUPAC2-(2-bromophenyl)-4-(3-methoxypropoxy)-N-methylbutan-1-amine
SMILESCNCC(CCOCCCOC)c1ccccc1Br
InChIInChI=1S/C15H24BrNO2/c1-17-12-13(8-11-19-10-5-9-18-2)14-6-3-4-7-15(14)16/h3-4,6-7,13,17H,5,8-12H2,1-2H3
InChIKeyMWNKLIFYNQRRSZ-UHFFFAOYSA-N
MW330.27 g/mol
LogP3.20
Rot. Bonds10

About 2-(2-bromophenyl)-4-(3-methoxypropoxy)-N-methylbutan-1-amine

2-(2-bromophenyl)-4-(3-methoxypropoxy)-N-methylbutan-1-amine (PubChem CID 103183720) has the molecular formula C15H24BrNO2 and a molecular weight of 330.27 g/mol. Its IUPAC name is 2-(2-bromophenyl)-4-(3-methoxypropoxy)-N-methylbutan-1-amine.

Molecular Properties

Compound Name2-(2-bromophenyl)-4-(3-methoxypropoxy)-N-methylbutan-1-amine
PubChem CID103183720
Molecular FormulaC15H24BrNO2
Molecular Weight330.27 g/mol
Exact Mass329.10
IUPAC Name2-(2-bromophenyl)-4-(3-methoxypropoxy)-N-methylbutan-1-amine
SMILESCNCC(CCOCCCOC)c1ccccc1Br
InChIInChI=1S/C15H24BrNO2/c1-17-12-13(8-11-19-10-5-9-18-2)14-6-3-4-7-15(14)16/h3-4,6-7,13,17H,5,8-12H2,1-2H3
InChIKeyMWNKLIFYNQRRSZ-UHFFFAOYSA-N
XLogP3.20
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-bromophenyl)-4-(3-methoxypropoxy)-N-methylbutan-1-amine 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

2-(2-bromophenyl)-4-[2-(2-methoxyethoxy)ethoxy]-N-methylbutan-1-amine
CID 104566805
2-(2-bromophenyl)-N-tert-butyl-4-(2-methoxyethoxy)butan-1-amine
CID 79436354
2-(2-bromophenyl)-N-methyl-4-propan-2-yloxybutan-1-amine
CID 79449527
2-(2-bromophenyl)-N-methyl-4-phenoxybutan-1-amine
CID 79449002
2-(2-bromophenyl)-6-methoxy-N-propylhexan-1-amine
CID 104649517
2-(2-bromophenyl)-4-propoxy-N-propylbutan-1-amine
CID 106457201
2-(2-bromophenyl)-N-methylundecan-1-amine
CID 79448779
4-butoxy-2-(2-fluorophenyl)-N-methylbutan-1-amine
CID 79439304
1-bromo-2-(1-bromo-6-methoxyhexan-2-yl)benzene
CID 104650740
2-(2-bromophenyl)-N-tert-butyl-4-propoxybutan-1-amine
CID 106457208
2-(2-bromophenyl)-5-ethoxy-N-propylpentan-1-amine
CID 79449363
N-[2-(2-fluorophenyl)-4-(3-methoxypropoxy)butyl]cyclopropanamine
CID 103183708

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-4-(3-methoxypropoxy)-N-methylbutan-1-amine?
The IUPAC name of 2-(2-bromophenyl)-4-(3-methoxypropoxy)-N-methylbutan-1-amine (CID 103183720) is 2-(2-bromophenyl)-4-(3-methoxypropoxy)-N-methylbutan-1-amine.
What is the SMILES notation for 2-(2-bromophenyl)-4-(3-methoxypropoxy)-N-methylbutan-1-amine?
The canonical SMILES for 2-(2-bromophenyl)-4-(3-methoxypropoxy)-N-methylbutan-1-amine is CNCC(CCOCCCOC)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-4-(3-methoxypropoxy)-N-methylbutan-1-amine?
The InChIKey is MWNKLIFYNQRRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO2/c1-17-12-13(8-11-19-10-5-9-18-2)14-6-3-4-7-15(14)16/h3-4,6-7,13,17H,5,8-12H2,1-2H3.
What are the key properties of 2-(2-bromophenyl)-4-(3-methoxypropoxy)-N-methylbutan-1-amine?
2-(2-bromophenyl)-4-(3-methoxypropoxy)-N-methylbutan-1-amine has a molecular weight of 330.27 g/mol, XLogP of 3.20, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-4-(3-methoxypropoxy)-N-methylbutan-1-amine is sourced from PubChem (CID 103183720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).