1-(2-bromophenyl)-N-ethyl-5,5-dimethylhexan-1-amine

C16H26BrN — CID 114209930

IUPAC1-(2-bromophenyl)-N-ethyl-5,5-dimethylhexan-1-amine
SMILESCCNC(CCCC(C)(C)C)c1ccccc1Br
InChIInChI=1S/C16H26BrN/c1-5-18-15(11-8-12-16(2,3)4)13-9-6-7-10-14(13)17/h6-7,9-10,15,18H,5,8,11-12H2,1-4H3
InChIKeyIEHIZUBVVSFMGB-UHFFFAOYSA-N
MW312.29 g/mol
LogP5.32
Rot. Bonds6

About 1-(2-bromophenyl)-N-ethyl-5,5-dimethylhexan-1-amine

1-(2-bromophenyl)-N-ethyl-5,5-dimethylhexan-1-amine (PubChem CID 114209930) has the molecular formula C16H26BrN and a molecular weight of 312.29 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-ethyl-5,5-dimethylhexan-1-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-ethyl-5,5-dimethylhexan-1-amine
PubChem CID114209930
Molecular FormulaC16H26BrN
Molecular Weight312.29 g/mol
Exact Mass311.12
IUPAC Name1-(2-bromophenyl)-N-ethyl-5,5-dimethylhexan-1-amine
SMILESCCNC(CCCC(C)(C)C)c1ccccc1Br
InChIInChI=1S/C16H26BrN/c1-5-18-15(11-8-12-16(2,3)4)13-9-6-7-10-14(13)17/h6-7,9-10,15,18H,5,8,11-12H2,1-4H3
InChIKeyIEHIZUBVVSFMGB-UHFFFAOYSA-N
XLogP5.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.29
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromophenyl)-N'-(2,2-dimethylpropyl)-N-ethyl-N'-methylpropane-1,3-diamine
CID 63495598
1-(3-bromo-2-fluorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine
CID 114020071
1-(3-bromo-2-chlorophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
CID 105024138
1-(2-bromophenyl)-N'-butyl-N,N'-diethylpropane-1,3-diamine
CID 63483594
1-(2-bromophenyl)-N-ethyl-3-methylhexan-1-amine
CID 63417467
1-(3-bromo-2-methylphenyl)-N-ethylpentan-1-amine
CID 115832741
1-(2-bromophenyl)-N-ethylbut-3-yn-1-amine
CID 62234979
1-(2,4-dibromophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
CID 107946545
1-(2-bromophenyl)-N-ethyl-2-(4-ethylphenyl)ethanamine
CID 63417123
1-(2-bromophenyl)-N-ethyl-N'-(3-methoxypropyl)-N'-methylpropane-1,3-diamine
CID 63009011
1-(2-bromo-5-methoxyphenyl)-N-ethyl-4,4-dimethylpentan-1-amine
CID 105139946
1-(2-bromophenyl)-N-ethyl-N'-methyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine
CID 63495417

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-ethyl-5,5-dimethylhexan-1-amine?
The IUPAC name of 1-(2-bromophenyl)-N-ethyl-5,5-dimethylhexan-1-amine (CID 114209930) is 1-(2-bromophenyl)-N-ethyl-5,5-dimethylhexan-1-amine.
What is the SMILES notation for 1-(2-bromophenyl)-N-ethyl-5,5-dimethylhexan-1-amine?
The canonical SMILES for 1-(2-bromophenyl)-N-ethyl-5,5-dimethylhexan-1-amine is CCNC(CCCC(C)(C)C)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-N-ethyl-5,5-dimethylhexan-1-amine?
The InChIKey is IEHIZUBVVSFMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrN/c1-5-18-15(11-8-12-16(2,3)4)13-9-6-7-10-14(13)17/h6-7,9-10,15,18H,5,8,11-12H2,1-4H3.
What are the key properties of 1-(2-bromophenyl)-N-ethyl-5,5-dimethylhexan-1-amine?
1-(2-bromophenyl)-N-ethyl-5,5-dimethylhexan-1-amine has a molecular weight of 312.29 g/mol, XLogP of 5.32, 6 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-5,5-dimethylhexan-1-amine is sourced from PubChem (CID 114209930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).