1-(2-bromophenyl)-N-ethyl-3-methylhexan-1-amine

C15H24BrN — CID 63417467

IUPAC1-(2-bromophenyl)-N-ethyl-3-methylhexan-1-amine
SMILESCCCC(C)CC(NCC)c1ccccc1Br
InChIInChI=1S/C15H24BrN/c1-4-8-12(3)11-15(17-5-2)13-9-6-7-10-14(13)16/h6-7,9-10,12,15,17H,4-5,8,11H2,1-3H3
InChIKeyCFXZGESMMQTOCY-UHFFFAOYSA-N
MW298.27 g/mol
LogP4.93
Rot. Bonds7

About 1-(2-bromophenyl)-N-ethyl-3-methylhexan-1-amine

1-(2-bromophenyl)-N-ethyl-3-methylhexan-1-amine (PubChem CID 63417467) has the molecular formula C15H24BrN and a molecular weight of 298.27 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-ethyl-3-methylhexan-1-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-ethyl-3-methylhexan-1-amine
PubChem CID63417467
Molecular FormulaC15H24BrN
Molecular Weight298.27 g/mol
Exact Mass297.11
IUPAC Name1-(2-bromophenyl)-N-ethyl-3-methylhexan-1-amine
SMILESCCCC(C)CC(NCC)c1ccccc1Br
InChIInChI=1S/C15H24BrN/c1-4-8-12(3)11-15(17-5-2)13-9-6-7-10-14(13)16/h6-7,9-10,12,15,17H,4-5,8,11H2,1-3H3
InChIKeyCFXZGESMMQTOCY-UHFFFAOYSA-N
XLogP4.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-4-methylphenyl)-N-ethyl-3-methylhexan-1-amine
CID 115845391
1-(3-bromo-2-methylphenyl)-3-methyl-N-propylhexan-1-amine
CID 115845363
1-(3-bromo-2-fluorophenyl)-3-methyl-N-propylhexan-1-amine
CID 107952811
1-(2-bromophenyl)-N-ethyl-4-methylheptan-2-amine
CID 63419613
1-(2-bromophenyl)-N-ethyl-N'-methyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine
CID 63495417
3-methyl-1-(2-methylphenyl)-N-propylhexan-1-amine
CID 63413299
1-(2-bromophenyl)-N-ethylbut-3-yn-1-amine
CID 62234979
1-(2-bromophenyl)-N-ethyl-5,5-dimethylhexan-1-amine
CID 114209930
N-[(1S)-1-(2-bromophenyl)ethyl]heptan-4-amine
CID 81383471
1-(2-bromophenyl)-N-ethyl-2-(4-ethylphenyl)ethanamine
CID 63417123
1-(2-bromophenyl)-N'-butyl-N,N'-diethylpropane-1,3-diamine
CID 63483594
N-ethyl-1-(2-methoxy-4-methylphenyl)-3-methylhexan-1-amine
CID 106792257

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-ethyl-3-methylhexan-1-amine?
The IUPAC name of 1-(2-bromophenyl)-N-ethyl-3-methylhexan-1-amine (CID 63417467) is 1-(2-bromophenyl)-N-ethyl-3-methylhexan-1-amine.
What is the SMILES notation for 1-(2-bromophenyl)-N-ethyl-3-methylhexan-1-amine?
The canonical SMILES for 1-(2-bromophenyl)-N-ethyl-3-methylhexan-1-amine is CCCC(C)CC(NCC)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-N-ethyl-3-methylhexan-1-amine?
The InChIKey is CFXZGESMMQTOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN/c1-4-8-12(3)11-15(17-5-2)13-9-6-7-10-14(13)16/h6-7,9-10,12,15,17H,4-5,8,11H2,1-3H3.
What are the key properties of 1-(2-bromophenyl)-N-ethyl-3-methylhexan-1-amine?
1-(2-bromophenyl)-N-ethyl-3-methylhexan-1-amine has a molecular weight of 298.27 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N-ethyl-3-methylhexan-1-amine is sourced from PubChem (CID 63417467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).