2-(4-bromophenyl)-N-(2-methoxyethyl)-4-propoxybutan-1-amine

C16H26BrNO2 — CID 106457082

IUPAC2-(4-bromophenyl)-N-(2-methoxyethyl)-4-propoxybutan-1-amine
SMILESCCCOCCC(CNCCOC)c1ccc(Br)cc1
InChIInChI=1S/C16H26BrNO2/c1-3-10-20-11-8-15(13-18-9-12-19-2)14-4-6-16(17)7-5-14/h4-7,15,18H,3,8-13H2,1-2H3
InChIKeyDZUAYIOJJLVVES-UHFFFAOYSA-N
MW344.29 g/mol
LogP3.59
Rot. Bonds11

About 2-(4-bromophenyl)-N-(2-methoxyethyl)-4-propoxybutan-1-amine

2-(4-bromophenyl)-N-(2-methoxyethyl)-4-propoxybutan-1-amine (PubChem CID 106457082) has the molecular formula C16H26BrNO2 and a molecular weight of 344.29 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(2-methoxyethyl)-4-propoxybutan-1-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(2-methoxyethyl)-4-propoxybutan-1-amine
PubChem CID106457082
Molecular FormulaC16H26BrNO2
Molecular Weight344.29 g/mol
Exact Mass343.11
IUPAC Name2-(4-bromophenyl)-N-(2-methoxyethyl)-4-propoxybutan-1-amine
SMILESCCCOCCC(CNCCOC)c1ccc(Br)cc1
InChIInChI=1S/C16H26BrNO2/c1-3-10-20-11-8-15(13-18-9-12-19-2)14-4-6-16(17)7-5-14/h4-7,15,18H,3,8-13H2,1-2H3
InChIKeyDZUAYIOJJLVVES-UHFFFAOYSA-N
XLogP3.59
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.29
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-bromophenyl)-N-(2-methoxyethyl)-4-propoxybutan-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-(4-bromophenyl)-4-(3-methoxypropoxy)-N-propylbutan-1-amine
CID 103183685
2-(4-bromophenyl)-4-(3-methylbutoxy)-N-propylbutan-1-amine
CID 79431850
4-(2-methoxyethoxy)-2-(4-methylphenyl)-N-propylbutan-1-amine
CID 79436715
2-(3-chlorophenyl)-N-(2-methoxyethyl)-4-propoxybutan-1-amine
CID 106457152
1-bromo-4-(1-bromo-4-propoxybutan-2-yl)benzene
CID 106459673
4-methoxy-N-(2-methoxyethyl)-2-(4-methylphenyl)butan-1-amine
CID 79437143
2-(4-bromophenyl)-N-tert-butyl-4-(2-methoxyethoxy)butan-1-amine
CID 79431613
N-(2-methoxyethyl)-2-phenylpentan-1-amine
CID 65431371
2-(4-chlorophenyl)-4-(3-methoxypropoxy)-N-propylbutan-1-amine
CID 103183686
2-(2-chlorophenyl)-N-(2-methoxyethyl)-4-propoxybutan-1-amine
CID 106457186
2-(4-bromophenyl)-3-ethoxy-N-propylpropan-1-amine
CID 103984791
N-ethyl-4-(2-methoxyethoxy)-2-phenylbutan-1-amine
CID 65430591

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-(2-methoxyethyl)-4-propoxybutan-1-amine?
The IUPAC name of 2-(4-bromophenyl)-N-(2-methoxyethyl)-4-propoxybutan-1-amine (CID 106457082) is 2-(4-bromophenyl)-N-(2-methoxyethyl)-4-propoxybutan-1-amine.
What is the SMILES notation for 2-(4-bromophenyl)-N-(2-methoxyethyl)-4-propoxybutan-1-amine?
The canonical SMILES for 2-(4-bromophenyl)-N-(2-methoxyethyl)-4-propoxybutan-1-amine is CCCOCCC(CNCCOC)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-(2-methoxyethyl)-4-propoxybutan-1-amine?
The InChIKey is DZUAYIOJJLVVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNO2/c1-3-10-20-11-8-15(13-18-9-12-19-2)14-4-6-16(17)7-5-14/h4-7,15,18H,3,8-13H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)-N-(2-methoxyethyl)-4-propoxybutan-1-amine?
2-(4-bromophenyl)-N-(2-methoxyethyl)-4-propoxybutan-1-amine has a molecular weight of 344.29 g/mol, XLogP of 3.59, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-(2-methoxyethyl)-4-propoxybutan-1-amine is sourced from PubChem (CID 106457082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).