2-(3-bromophenyl)-3-methyl-N-(2-methylpropyl)hexan-1-amine

C17H28BrN — CID 107887110

IUPAC2-(3-bromophenyl)-3-methyl-N-(2-methylpropyl)hexan-1-amine
SMILESCCCC(C)C(CNCC(C)C)c1cccc(Br)c1
InChIInChI=1S/C17H28BrN/c1-5-7-14(4)17(12-19-11-13(2)3)15-8-6-9-16(18)10-15/h6,8-10,13-14,17,19H,5,7,11-12H2,1-4H3
InChIKeyYPIDZIPNFXSTDT-UHFFFAOYSA-N
MW326.32 g/mol
LogP5.21
Rot. Bonds8

About 2-(3-bromophenyl)-3-methyl-N-(2-methylpropyl)hexan-1-amine

2-(3-bromophenyl)-3-methyl-N-(2-methylpropyl)hexan-1-amine (PubChem CID 107887110) has the molecular formula C17H28BrN and a molecular weight of 326.32 g/mol. Its IUPAC name is 2-(3-bromophenyl)-3-methyl-N-(2-methylpropyl)hexan-1-amine.

Molecular Properties

Compound Name2-(3-bromophenyl)-3-methyl-N-(2-methylpropyl)hexan-1-amine
PubChem CID107887110
Molecular FormulaC17H28BrN
Molecular Weight326.32 g/mol
Exact Mass325.14
IUPAC Name2-(3-bromophenyl)-3-methyl-N-(2-methylpropyl)hexan-1-amine
SMILESCCCC(C)C(CNCC(C)C)c1cccc(Br)c1
InChIInChI=1S/C17H28BrN/c1-5-7-14(4)17(12-19-11-13(2)3)15-8-6-9-16(18)10-15/h6,8-10,13-14,17,19H,5,7,11-12H2,1-4H3
InChIKeyYPIDZIPNFXSTDT-UHFFFAOYSA-N
XLogP5.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.32
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-3-(1-chloro-3-methylhexan-2-yl)benzene
CID 107893281
2-(3-methoxy-4-methylphenyl)-3-methyl-N-(2-methylpropyl)hexan-1-amine
CID 107887077
2-[2-(3-bromophenoxy)ethyl]-N-(2-methylpropyl)pentan-1-amine
CID 63521320
2-(3-bromophenyl)-N-methylhexan-3-amine
CID 83051942
1-(3-bromophenyl)butan-1-ol
CID 18417756
2-(4-bromophenyl)-N-(2-methylpropyl)pentan-1-amine
CID 79438543
N-[1-(3-bromophenyl)ethyl]hexan-3-amine
CID 63477251
2-(3-fluorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 66243831
N-tert-butyl-2-(3-chlorophenyl)-3-methylhexan-1-amine
CID 107886919
2-(3-bromophenyl)-4-(3-methylbutoxy)-N-propylbutan-1-amine
CID 79430248
2-(3-bromophenyl)-N-propylbutan-1-amine
CID 79443196
N-[1-(3-bromophenyl)ethyl]-3-methylbutan-1-amine
CID 43193038

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-3-methyl-N-(2-methylpropyl)hexan-1-amine?
The IUPAC name of 2-(3-bromophenyl)-3-methyl-N-(2-methylpropyl)hexan-1-amine (CID 107887110) is 2-(3-bromophenyl)-3-methyl-N-(2-methylpropyl)hexan-1-amine.
What is the SMILES notation for 2-(3-bromophenyl)-3-methyl-N-(2-methylpropyl)hexan-1-amine?
The canonical SMILES for 2-(3-bromophenyl)-3-methyl-N-(2-methylpropyl)hexan-1-amine is CCCC(C)C(CNCC(C)C)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-3-methyl-N-(2-methylpropyl)hexan-1-amine?
The InChIKey is YPIDZIPNFXSTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BrN/c1-5-7-14(4)17(12-19-11-13(2)3)15-8-6-9-16(18)10-15/h6,8-10,13-14,17,19H,5,7,11-12H2,1-4H3.
What are the key properties of 2-(3-bromophenyl)-3-methyl-N-(2-methylpropyl)hexan-1-amine?
2-(3-bromophenyl)-3-methyl-N-(2-methylpropyl)hexan-1-amine has a molecular weight of 326.32 g/mol, XLogP of 5.21, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-3-methyl-N-(2-methylpropyl)hexan-1-amine is sourced from PubChem (CID 107887110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).