1-(2-bromophenyl)-1-(3-methylbutoxy)butan-2-amine

C15H24BrNO — CID 55022406

IUPAC1-(2-bromophenyl)-1-(3-methylbutoxy)butan-2-amine
SMILESCCC(N)C(OCCC(C)C)c1ccccc1Br
InChIInChI=1S/C15H24BrNO/c1-4-14(17)15(18-10-9-11(2)3)12-7-5-6-8-13(12)16/h5-8,11,14-15H,4,9-10,17H2,1-3H3
InChIKeyHHCLPLFROSHAFS-UHFFFAOYSA-N
MW314.27 g/mol
LogP4.29
Rot. Bonds7

About 1-(2-bromophenyl)-1-(3-methylbutoxy)butan-2-amine

1-(2-bromophenyl)-1-(3-methylbutoxy)butan-2-amine (PubChem CID 55022406) has the molecular formula C15H24BrNO and a molecular weight of 314.27 g/mol. Its IUPAC name is 1-(2-bromophenyl)-1-(3-methylbutoxy)butan-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-1-(3-methylbutoxy)butan-2-amine
PubChem CID55022406
Molecular FormulaC15H24BrNO
Molecular Weight314.27 g/mol
Exact Mass313.10
IUPAC Name1-(2-bromophenyl)-1-(3-methylbutoxy)butan-2-amine
SMILESCCC(N)C(OCCC(C)C)c1ccccc1Br
InChIInChI=1S/C15H24BrNO/c1-4-14(17)15(18-10-9-11(2)3)12-7-5-6-8-13(12)16/h5-8,11,14-15H,4,9-10,17H2,1-3H3
InChIKeyHHCLPLFROSHAFS-UHFFFAOYSA-N
XLogP4.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-bromophenyl)-1-(3-methylbutoxy)butan-2-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

1-(3-fluorophenyl)-1-(3-methylbutoxy)butan-2-amine
CID 55020209
1-(2-bromophenyl)-1-(2,3-dichlorophenoxy)butan-2-amine
CID 63459898
1-(3-bromo-5-fluorophenoxy)-1-(2-bromophenyl)butan-2-amine
CID 81315466
1-(2-bromophenyl)-1-(2,4-dichlorophenoxy)butan-2-amine
CID 63457464
1-(2-bromophenyl)-1-(4-chloro-3-methylphenoxy)butan-2-amine
CID 63459343
2-(3-methylbutoxy)-1,2-diphenylethanamine
CID 43104834
1-(2-bromophenyl)-1-(2-cyclobutylethoxy)propan-2-amine
CID 106200055
1-(3,3-dimethylbutoxy)-1-(2-fluorophenyl)butan-2-amine
CID 66233120
1-(2-chlorophenyl)-1-(2-methylpentoxy)butan-2-amine
CID 103282985
2-amino-3-(2-bromophenyl)butan-1-ol
CID 83912818
1-(4-fluorophenyl)-1-(4-methylpentoxy)butan-2-amine
CID 55015028
2-(2-bromophenyl)-N-methyl-2-(4-methylpentoxy)ethanamine
CID 55036243

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-1-(3-methylbutoxy)butan-2-amine?
The IUPAC name of 1-(2-bromophenyl)-1-(3-methylbutoxy)butan-2-amine (CID 55022406) is 1-(2-bromophenyl)-1-(3-methylbutoxy)butan-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)-1-(3-methylbutoxy)butan-2-amine?
The canonical SMILES for 1-(2-bromophenyl)-1-(3-methylbutoxy)butan-2-amine is CCC(N)C(OCCC(C)C)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-1-(3-methylbutoxy)butan-2-amine?
The InChIKey is HHCLPLFROSHAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO/c1-4-14(17)15(18-10-9-11(2)3)12-7-5-6-8-13(12)16/h5-8,11,14-15H,4,9-10,17H2,1-3H3.
What are the key properties of 1-(2-bromophenyl)-1-(3-methylbutoxy)butan-2-amine?
1-(2-bromophenyl)-1-(3-methylbutoxy)butan-2-amine has a molecular weight of 314.27 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-1-(3-methylbutoxy)butan-2-amine is sourced from PubChem (CID 55022406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).