2-(2-bromophenyl)-N-tert-butyl-3-methylhexan-1-amine

C17H28BrN — CID 107887186

IUPAC2-(2-bromophenyl)-N-tert-butyl-3-methylhexan-1-amine
SMILESCCCC(C)C(CNC(C)(C)C)c1ccccc1Br
InChIInChI=1S/C17H28BrN/c1-6-9-13(2)15(12-19-17(3,4)5)14-10-7-8-11-16(14)18/h7-8,10-11,13,15,19H,6,9,12H2,1-5H3
InChIKeyOHJCPVGEPAXGIU-UHFFFAOYSA-N
MW326.32 g/mol
LogP5.36
Rot. Bonds6

About 2-(2-bromophenyl)-N-tert-butyl-3-methylhexan-1-amine

2-(2-bromophenyl)-N-tert-butyl-3-methylhexan-1-amine (PubChem CID 107887186) has the molecular formula C17H28BrN and a molecular weight of 326.32 g/mol. Its IUPAC name is 2-(2-bromophenyl)-N-tert-butyl-3-methylhexan-1-amine.

Molecular Properties

Compound Name2-(2-bromophenyl)-N-tert-butyl-3-methylhexan-1-amine
PubChem CID107887186
Molecular FormulaC17H28BrN
Molecular Weight326.32 g/mol
Exact Mass325.14
IUPAC Name2-(2-bromophenyl)-N-tert-butyl-3-methylhexan-1-amine
SMILESCCCC(C)C(CNC(C)(C)C)c1ccccc1Br
InChIInChI=1S/C17H28BrN/c1-6-9-13(2)15(12-19-17(3,4)5)14-10-7-8-11-16(14)18/h7-8,10-11,13,15,19H,6,9,12H2,1-5H3
InChIKeyOHJCPVGEPAXGIU-UHFFFAOYSA-N
XLogP5.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.32
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bromophenyl)-3-methyl-N-propylhexan-1-amine
CID 114012929
2-(2-bromophenyl)-N-tert-butyl-4-propoxybutan-1-amine
CID 106457208
N-tert-butyl-2-(2-chlorophenyl)-3-methylpentan-1-amine
CID 79446177
N-tert-butyl-3-methyl-2-pyridin-4-ylhexan-1-amine
CID 107887241
N-tert-butyl-2-(3-chlorophenyl)-3-methylhexan-1-amine
CID 107886919
N-[(1S)-1-(2-bromophenyl)ethyl]heptan-4-amine
CID 81383471
N-[1-(2-bromophenyl)ethyl]hexan-3-amine
CID 63477080
N-tert-butyl-2-(2-methylphenyl)pentan-1-amine
CID 79420694
N-[1-(2-bromophenyl)ethyl]-2-methylbutan-2-amine
CID 43824431
N-[2-(2-bromophenyl)-3-(furan-2-yl)propyl]-2-methylpropan-2-amine
CID 79448849
N-[2-(2-bromophenyl)-2-(2-ethoxyethoxy)ethyl]-2-methylpropan-2-amine
CID 62108632
2-(2-bromophenyl)-N-tert-butyl-4-(2-methoxyethoxy)butan-1-amine
CID 79436354

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-N-tert-butyl-3-methylhexan-1-amine?
The IUPAC name of 2-(2-bromophenyl)-N-tert-butyl-3-methylhexan-1-amine (CID 107887186) is 2-(2-bromophenyl)-N-tert-butyl-3-methylhexan-1-amine.
What is the SMILES notation for 2-(2-bromophenyl)-N-tert-butyl-3-methylhexan-1-amine?
The canonical SMILES for 2-(2-bromophenyl)-N-tert-butyl-3-methylhexan-1-amine is CCCC(C)C(CNC(C)(C)C)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-N-tert-butyl-3-methylhexan-1-amine?
The InChIKey is OHJCPVGEPAXGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BrN/c1-6-9-13(2)15(12-19-17(3,4)5)14-10-7-8-11-16(14)18/h7-8,10-11,13,15,19H,6,9,12H2,1-5H3.
What are the key properties of 2-(2-bromophenyl)-N-tert-butyl-3-methylhexan-1-amine?
2-(2-bromophenyl)-N-tert-butyl-3-methylhexan-1-amine has a molecular weight of 326.32 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-N-tert-butyl-3-methylhexan-1-amine is sourced from PubChem (CID 107887186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).