1-(2-bromophenyl)-N-ethyl-4-methylhexan-2-amine

C15H24BrN — CID 63419614

IUPAC1-(2-bromophenyl)-N-ethyl-4-methylhexan-2-amine
SMILESCCNC(Cc1ccccc1Br)CC(C)CC
InChIInChI=1S/C15H24BrN/c1-4-12(3)10-14(17-5-2)11-13-8-6-7-9-15(13)16/h6-9,12,14,17H,4-5,10-11H2,1-3H3
InChIKeyYIUIZZJSBAWTJP-UHFFFAOYSA-N
MW298.27 g/mol
LogP4.41
Rot. Bonds7

About 1-(2-bromophenyl)-N-ethyl-4-methylhexan-2-amine

1-(2-bromophenyl)-N-ethyl-4-methylhexan-2-amine (PubChem CID 63419614) has the molecular formula C15H24BrN and a molecular weight of 298.27 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-ethyl-4-methylhexan-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-ethyl-4-methylhexan-2-amine
PubChem CID63419614
Molecular FormulaC15H24BrN
Molecular Weight298.27 g/mol
Exact Mass297.11
IUPAC Name1-(2-bromophenyl)-N-ethyl-4-methylhexan-2-amine
SMILESCCNC(Cc1ccccc1Br)CC(C)CC
InChIInChI=1S/C15H24BrN/c1-4-12(3)10-14(17-5-2)11-13-8-6-7-9-15(13)16/h6-9,12,14,17H,4-5,10-11H2,1-3H3
InChIKeyYIUIZZJSBAWTJP-UHFFFAOYSA-N
XLogP4.41
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 ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromophenyl)-N-ethyl-4-methylheptan-2-amine
CID 63419613
3-(2-bromophenyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 79093309
1-(2-bromophenyl)-N-ethyl-5-methylhex-5-en-2-amine
CID 114474584
1-(2-bromophenyl)-3-(2-bromophenyl)sulfanyl-N-ethylpropan-2-amine
CID 66144284
1-(2-bromophenyl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 105087369
1-(2-bromophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-2-amine
CID 63416386
1-(2-bromophenyl)-3-(2,6-dichlorophenyl)-N-ethylpropan-2-amine
CID 63415285
1-(2-bromophenyl)-N-ethyl-3,5-dimethylhexan-2-amine
CID 114284863
1-(2-bromophenyl)-3-(1,3-dioxolan-2-yl)-N-ethylpropan-2-amine
CID 103546390
2-[(2-bromophenyl)methyl]-4-methylhexanoic acid
CID 63401905
1-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)-N-ethylpropan-2-amine
CID 55187580
1-(5-chloro-2-fluorophenyl)-N-ethyl-4-methylhexan-2-amine
CID 103052938

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-ethyl-4-methylhexan-2-amine?
The IUPAC name of 1-(2-bromophenyl)-N-ethyl-4-methylhexan-2-amine (CID 63419614) is 1-(2-bromophenyl)-N-ethyl-4-methylhexan-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)-N-ethyl-4-methylhexan-2-amine?
The canonical SMILES for 1-(2-bromophenyl)-N-ethyl-4-methylhexan-2-amine is CCNC(Cc1ccccc1Br)CC(C)CC.
What is the InChIKey of 1-(2-bromophenyl)-N-ethyl-4-methylhexan-2-amine?
The InChIKey is YIUIZZJSBAWTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN/c1-4-12(3)10-14(17-5-2)11-13-8-6-7-9-15(13)16/h6-9,12,14,17H,4-5,10-11H2,1-3H3.
What are the key properties of 1-(2-bromophenyl)-N-ethyl-4-methylhexan-2-amine?
1-(2-bromophenyl)-N-ethyl-4-methylhexan-2-amine has a molecular weight of 298.27 g/mol, XLogP of 4.41, 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-4-methylhexan-2-amine is sourced from PubChem (CID 63419614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).