2-(2-bromophenyl)-4-propoxy-N-propylbutan-1-amine

C16H26BrNO — CID 106457201

IUPAC2-(2-bromophenyl)-4-propoxy-N-propylbutan-1-amine
SMILESCCCNCC(CCOCCC)c1ccccc1Br
InChIInChI=1S/C16H26BrNO/c1-3-10-18-13-14(9-12-19-11-4-2)15-7-5-6-8-16(15)17/h5-8,14,18H,3-4,9-13H2,1-2H3
InChIKeyWSMDTDAMMLBCKZ-UHFFFAOYSA-N
MW328.29 g/mol
LogP4.35
Rot. Bonds10

About 2-(2-bromophenyl)-4-propoxy-N-propylbutan-1-amine

2-(2-bromophenyl)-4-propoxy-N-propylbutan-1-amine (PubChem CID 106457201) has the molecular formula C16H26BrNO and a molecular weight of 328.29 g/mol. Its IUPAC name is 2-(2-bromophenyl)-4-propoxy-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-(2-bromophenyl)-4-propoxy-N-propylbutan-1-amine
PubChem CID106457201
Molecular FormulaC16H26BrNO
Molecular Weight328.29 g/mol
Exact Mass327.12
IUPAC Name2-(2-bromophenyl)-4-propoxy-N-propylbutan-1-amine
SMILESCCCNCC(CCOCCC)c1ccccc1Br
InChIInChI=1S/C16H26BrNO/c1-3-10-18-13-14(9-12-19-11-4-2)15-7-5-6-8-16(15)17/h5-8,14,18H,3-4,9-13H2,1-2H3
InChIKeyWSMDTDAMMLBCKZ-UHFFFAOYSA-N
XLogP4.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2-bromophenyl)-4-propoxy-N-propylbutan-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)-5-ethoxy-N-propylpentan-1-amine
CID 79449363
2-(2-bromophenyl)-N-tert-butyl-4-propoxybutan-1-amine
CID 106457208
2-(2-bromophenyl)-N-propylheptan-1-amine
CID 79449289
2-(2-bromophenyl)-6-methoxy-N-propylhexan-1-amine
CID 104649517
2-(2-bromophenyl)-6-methyl-N-propylheptan-1-amine
CID 83168332
4-butoxy-2-(2-methylphenyl)-N-propylbutan-1-amine
CID 79420865
4-ethoxy-2-(2-methylphenyl)-N-propylbutan-1-amine
CID 79421267
2-(2-bromophenyl)-4-[2-(2-methoxyethoxy)ethoxy]-N-methylbutan-1-amine
CID 104566805
4-(2-methoxyethoxy)-2-(2-methylphenyl)-N-propylbutan-1-amine
CID 79421909
2-(2-chlorophenyl)-N-(2-methoxyethyl)-4-propoxybutan-1-amine
CID 106457186
2-(2-bromophenyl)-4-(3-methoxypropoxy)-N-methylbutan-1-amine
CID 103183720
2-(2-bromophenyl)-4-ethylsulfonyl-N-(2-methoxyethyl)butan-1-amine
CID 79436776

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-4-propoxy-N-propylbutan-1-amine?
The IUPAC name of 2-(2-bromophenyl)-4-propoxy-N-propylbutan-1-amine (CID 106457201) is 2-(2-bromophenyl)-4-propoxy-N-propylbutan-1-amine.
What is the SMILES notation for 2-(2-bromophenyl)-4-propoxy-N-propylbutan-1-amine?
The canonical SMILES for 2-(2-bromophenyl)-4-propoxy-N-propylbutan-1-amine is CCCNCC(CCOCCC)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-4-propoxy-N-propylbutan-1-amine?
The InChIKey is WSMDTDAMMLBCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNO/c1-3-10-18-13-14(9-12-19-11-4-2)15-7-5-6-8-16(15)17/h5-8,14,18H,3-4,9-13H2,1-2H3.
What are the key properties of 2-(2-bromophenyl)-4-propoxy-N-propylbutan-1-amine?
2-(2-bromophenyl)-4-propoxy-N-propylbutan-1-amine has a molecular weight of 328.29 g/mol, XLogP of 4.35, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-4-propoxy-N-propylbutan-1-amine is sourced from PubChem (CID 106457201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).