2-(4-bromophenyl)-N-tert-butyl-6-methylheptan-1-amine

C18H30BrN — CID 83168805

IUPAC2-(4-bromophenyl)-N-tert-butyl-6-methylheptan-1-amine
SMILESCC(C)CCCC(CNC(C)(C)C)c1ccc(Br)cc1
InChIInChI=1S/C18H30BrN/c1-14(2)7-6-8-16(13-20-18(3,4)5)15-9-11-17(19)12-10-15/h9-12,14,16,20H,6-8,13H2,1-5H3
InChIKeyXHTYJURBUFJZQR-UHFFFAOYSA-N
MW340.35 g/mol
LogP5.75
Rot. Bonds7

About 2-(4-bromophenyl)-N-tert-butyl-6-methylheptan-1-amine

2-(4-bromophenyl)-N-tert-butyl-6-methylheptan-1-amine (PubChem CID 83168805) has the molecular formula C18H30BrN and a molecular weight of 340.35 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-tert-butyl-6-methylheptan-1-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-tert-butyl-6-methylheptan-1-amine
PubChem CID83168805
Molecular FormulaC18H30BrN
Molecular Weight340.35 g/mol
Exact Mass339.16
IUPAC Name2-(4-bromophenyl)-N-tert-butyl-6-methylheptan-1-amine
SMILESCC(C)CCCC(CNC(C)(C)C)c1ccc(Br)cc1
InChIInChI=1S/C18H30BrN/c1-14(2)7-6-8-16(13-20-18(3,4)5)15-9-11-17(19)12-10-15/h9-12,14,16,20H,6-8,13H2,1-5H3
InChIKeyXHTYJURBUFJZQR-UHFFFAOYSA-N
XLogP5.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.35
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-tert-butyl-2-(4-fluorophenyl)-6-methylheptan-1-amine
CID 83168684
2-(4-bromophenyl)-N-tert-butyl-4-ethoxybutan-1-amine
CID 79438359
2-(4-bromophenyl)-N-tert-butyl-4-(2-methoxyethoxy)butan-1-amine
CID 79431613
N-tert-butyl-2-(3-chlorophenyl)-6-methylheptan-1-amine
CID 83169178
N-[1-(4-bromophenyl)ethyl]-5-methylhexan-1-amine
CID 113287271
N-tert-butyl-5-methylsulfanyl-2-phenylpentan-1-amine
CID 113474239
2-(4-bromophenyl)-N-(2-methylpropyl)pentan-1-amine
CID 79438543
N-tert-butyl-2-(4-fluorophenyl)-4-methylpentan-1-amine
CID 79438111
2-(4-bromophenyl)-6-methoxy-N-(2-methylpropyl)hexan-1-amine
CID 104649474
2-(3-bromophenyl)-N-tert-butyl-4-(2-methylpropoxy)butan-1-amine
CID 106457162
2-(4-bromophenyl)-5-ethoxy-N-(2-methylpropyl)pentan-1-amine
CID 79437803
N-tert-butyl-4-methyl-2-phenylpentan-1-amine
CID 65429499

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-tert-butyl-6-methylheptan-1-amine?
The IUPAC name of 2-(4-bromophenyl)-N-tert-butyl-6-methylheptan-1-amine (CID 83168805) is 2-(4-bromophenyl)-N-tert-butyl-6-methylheptan-1-amine.
What is the SMILES notation for 2-(4-bromophenyl)-N-tert-butyl-6-methylheptan-1-amine?
The canonical SMILES for 2-(4-bromophenyl)-N-tert-butyl-6-methylheptan-1-amine is CC(C)CCCC(CNC(C)(C)C)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-tert-butyl-6-methylheptan-1-amine?
The InChIKey is XHTYJURBUFJZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30BrN/c1-14(2)7-6-8-16(13-20-18(3,4)5)15-9-11-17(19)12-10-15/h9-12,14,16,20H,6-8,13H2,1-5H3.
What are the key properties of 2-(4-bromophenyl)-N-tert-butyl-6-methylheptan-1-amine?
2-(4-bromophenyl)-N-tert-butyl-6-methylheptan-1-amine has a molecular weight of 340.35 g/mol, XLogP of 5.75, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-tert-butyl-6-methylheptan-1-amine is sourced from PubChem (CID 83168805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).