2-[(2-bromophenyl)methyl]-N-(2-methoxyethyl)-4-propan-2-yloxybutan-1-amine

C17H28BrNO2 — CID 62719056

IUPAC2-[(2-bromophenyl)methyl]-N-(2-methoxyethyl)-4-propan-2-yloxybutan-1-amine
SMILESCOCCNCC(CCOC(C)C)Cc1ccccc1Br
InChIInChI=1S/C17H28BrNO2/c1-14(2)21-10-8-15(13-19-9-11-20-3)12-16-6-4-5-7-17(16)18/h4-7,14-15,19H,8-13H2,1-3H3
InChIKeyUURDXTWMPRRPNH-UHFFFAOYSA-N
MW358.32 g/mol
LogP3.66
Rot. Bonds11

About 2-[(2-bromophenyl)methyl]-N-(2-methoxyethyl)-4-propan-2-yloxybutan-1-amine

2-[(2-bromophenyl)methyl]-N-(2-methoxyethyl)-4-propan-2-yloxybutan-1-amine (PubChem CID 62719056) has the molecular formula C17H28BrNO2 and a molecular weight of 358.32 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methyl]-N-(2-methoxyethyl)-4-propan-2-yloxybutan-1-amine.

Molecular Properties

Compound Name2-[(2-bromophenyl)methyl]-N-(2-methoxyethyl)-4-propan-2-yloxybutan-1-amine
PubChem CID62719056
Molecular FormulaC17H28BrNO2
Molecular Weight358.32 g/mol
Exact Mass357.13
IUPAC Name2-[(2-bromophenyl)methyl]-N-(2-methoxyethyl)-4-propan-2-yloxybutan-1-amine
SMILESCOCCNCC(CCOC(C)C)Cc1ccccc1Br
InChIInChI=1S/C17H28BrNO2/c1-14(2)21-10-8-15(13-19-9-11-20-3)12-16-6-4-5-7-17(16)18/h4-7,14-15,19H,8-13H2,1-3H3
InChIKeyUURDXTWMPRRPNH-UHFFFAOYSA-N
XLogP3.66
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 53.66
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)methyl]-N-(2-methoxyethyl)-4-propan-2-yloxybutan-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)methyl]-5-methoxy-N-(2-methoxyethyl)pentan-1-amine
CID 62718705
2-[(2-bromophenyl)methyl]-4-ethyl-N-(2-methoxyethyl)hexan-1-amine
CID 82926038
N-(2-methoxyethyl)-2-[(4-methylphenyl)methyl]-4-propan-2-yloxybutan-1-amine
CID 62719047
2-[(2-bromophenyl)methyl]-4-(2-methylpropoxy)-N-propylbutan-1-amine
CID 106456752
2-[(2-bromophenyl)methyl]-4-[(2-methylpropan-2-yl)oxy]-N-propylbutan-1-amine
CID 115943389
2-[(2-bromophenyl)methyl]-5-methoxy-N-methylpentan-1-amine
CID 62515977
N-ethyl-2-[(2-methylphenyl)methyl]-4-propan-2-yloxybutan-1-amine
CID 62514748
N-(2-methoxyethyl)-6-methyl-2-[(2-methylphenyl)methyl]heptan-1-amine
CID 83148264
2-[(2-bromophenyl)methyl]-6-methyl-N-propylheptan-1-amine
CID 83168303
2-N-[(2-bromophenyl)methyl]-1-N-(2-methoxyethyl)-2-N-methylpropane-1,2-diamine
CID 62570545
2-[(2-bromophenyl)methyl]-N-ethyl-5-methylhexan-1-amine
CID 63520892
2-[(2-methoxyphenyl)methyl]-N-methyl-4-propan-2-yloxybutan-1-amine
CID 62516668

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methyl]-N-(2-methoxyethyl)-4-propan-2-yloxybutan-1-amine?
The IUPAC name of 2-[(2-bromophenyl)methyl]-N-(2-methoxyethyl)-4-propan-2-yloxybutan-1-amine (CID 62719056) is 2-[(2-bromophenyl)methyl]-N-(2-methoxyethyl)-4-propan-2-yloxybutan-1-amine.
What is the SMILES notation for 2-[(2-bromophenyl)methyl]-N-(2-methoxyethyl)-4-propan-2-yloxybutan-1-amine?
The canonical SMILES for 2-[(2-bromophenyl)methyl]-N-(2-methoxyethyl)-4-propan-2-yloxybutan-1-amine is COCCNCC(CCOC(C)C)Cc1ccccc1Br.
What is the InChIKey of 2-[(2-bromophenyl)methyl]-N-(2-methoxyethyl)-4-propan-2-yloxybutan-1-amine?
The InChIKey is UURDXTWMPRRPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BrNO2/c1-14(2)21-10-8-15(13-19-9-11-20-3)12-16-6-4-5-7-17(16)18/h4-7,14-15,19H,8-13H2,1-3H3.
What are the key properties of 2-[(2-bromophenyl)methyl]-N-(2-methoxyethyl)-4-propan-2-yloxybutan-1-amine?
2-[(2-bromophenyl)methyl]-N-(2-methoxyethyl)-4-propan-2-yloxybutan-1-amine has a molecular weight of 358.32 g/mol, XLogP of 3.66, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methyl]-N-(2-methoxyethyl)-4-propan-2-yloxybutan-1-amine is sourced from PubChem (CID 62719056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).