2-[2-(3-bromophenoxy)ethyl]-N-(2-methylpropyl)pentan-1-amine

C17H28BrNO — CID 63521320

IUPAC2-[2-(3-bromophenoxy)ethyl]-N-(2-methylpropyl)pentan-1-amine
SMILESCCCC(CCOc1cccc(Br)c1)CNCC(C)C
InChIInChI=1S/C17H28BrNO/c1-4-6-15(13-19-12-14(2)3)9-10-20-17-8-5-7-16(18)11-17/h5,7-8,11,14-15,19H,4,6,9-10,12-13H2,1-3H3
InChIKeyHAIKCBGLQVOJHK-UHFFFAOYSA-N
MW342.32 g/mol
LogP4.88
Rot. Bonds10

About 2-[2-(3-bromophenoxy)ethyl]-N-(2-methylpropyl)pentan-1-amine

2-[2-(3-bromophenoxy)ethyl]-N-(2-methylpropyl)pentan-1-amine (PubChem CID 63521320) has the molecular formula C17H28BrNO and a molecular weight of 342.32 g/mol. Its IUPAC name is 2-[2-(3-bromophenoxy)ethyl]-N-(2-methylpropyl)pentan-1-amine.

Molecular Properties

Compound Name2-[2-(3-bromophenoxy)ethyl]-N-(2-methylpropyl)pentan-1-amine
PubChem CID63521320
Molecular FormulaC17H28BrNO
Molecular Weight342.32 g/mol
Exact Mass341.14
IUPAC Name2-[2-(3-bromophenoxy)ethyl]-N-(2-methylpropyl)pentan-1-amine
SMILESCCCC(CCOc1cccc(Br)c1)CNCC(C)C
InChIInChI=1S/C17H28BrNO/c1-4-6-15(13-19-12-14(2)3)9-10-20-17-8-5-7-16(18)11-17/h5,7-8,11,14-15,19H,4,6,9-10,12-13H2,1-3H3
InChIKeyHAIKCBGLQVOJHK-UHFFFAOYSA-N
XLogP4.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[2-(3-bromophenoxy)ethyl]-N-(2-methylpropyl)pentan-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-(3-bromophenoxy)ethyl]-4-methyl-N-propan-2-ylpentan-1-amine
CID 63497455
1-bromo-3-(2-propylpentoxy)benzene
CID 67316784
1-(3-bromophenoxy)-N,5-dimethylhexan-3-amine
CID 54971176
1-(3-bromophenoxy)-N-ethylhexan-3-amine
CID 54970645
1-bromo-3-(4-methylpentoxy)benzene
CID 83156174
1-(3-bromophenoxy)-5-methoxy-N-methylpentan-3-amine
CID 54970505
5-(3-bromophenoxy)-N,3-diethylpentan-2-amine
CID 54971361
N-[[2-[(3-bromophenoxy)methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 63498759
2-[2-(3-bromophenoxy)ethyl]-2-(2-methylpropyl)propane-1,3-diol
CID 79450543
2-(3-bromophenyl)-3-methyl-N-(2-methylpropyl)hexan-1-amine
CID 107887110
N-methyl-2-(2-phenoxyethyl)pentan-1-amine
CID 62528721
2-ethyl-N-(2-methylpropyl)-5-phenoxypentan-1-amine
CID 62936468

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bromophenoxy)ethyl]-N-(2-methylpropyl)pentan-1-amine?
The IUPAC name of 2-[2-(3-bromophenoxy)ethyl]-N-(2-methylpropyl)pentan-1-amine (CID 63521320) is 2-[2-(3-bromophenoxy)ethyl]-N-(2-methylpropyl)pentan-1-amine.
What is the SMILES notation for 2-[2-(3-bromophenoxy)ethyl]-N-(2-methylpropyl)pentan-1-amine?
The canonical SMILES for 2-[2-(3-bromophenoxy)ethyl]-N-(2-methylpropyl)pentan-1-amine is CCCC(CCOc1cccc(Br)c1)CNCC(C)C.
What is the InChIKey of 2-[2-(3-bromophenoxy)ethyl]-N-(2-methylpropyl)pentan-1-amine?
The InChIKey is HAIKCBGLQVOJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BrNO/c1-4-6-15(13-19-12-14(2)3)9-10-20-17-8-5-7-16(18)11-17/h5,7-8,11,14-15,19H,4,6,9-10,12-13H2,1-3H3.
What are the key properties of 2-[2-(3-bromophenoxy)ethyl]-N-(2-methylpropyl)pentan-1-amine?
2-[2-(3-bromophenoxy)ethyl]-N-(2-methylpropyl)pentan-1-amine has a molecular weight of 342.32 g/mol, XLogP of 4.88, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-bromophenoxy)ethyl]-N-(2-methylpropyl)pentan-1-amine is sourced from PubChem (CID 63521320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).