1-(3-bromophenyl)-N,4,6,6-tetramethylheptan-2-amine

C17H28BrN — CID 115789167

IUPAC1-(3-bromophenyl)-N,4,6,6-tetramethylheptan-2-amine
SMILESCNC(Cc1cccc(Br)c1)CC(C)CC(C)(C)C
InChIInChI=1S/C17H28BrN/c1-13(12-17(2,3)4)9-16(19-5)11-14-7-6-8-15(18)10-14/h6-8,10,13,16,19H,9,11-12H2,1-5H3
InChIKeyZHBGPTUYVKGUDT-UHFFFAOYSA-N
MW326.32 g/mol
LogP5.04
Rot. Bonds6

About 1-(3-bromophenyl)-N,4,6,6-tetramethylheptan-2-amine

1-(3-bromophenyl)-N,4,6,6-tetramethylheptan-2-amine (PubChem CID 115789167) has the molecular formula C17H28BrN and a molecular weight of 326.32 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N,4,6,6-tetramethylheptan-2-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N,4,6,6-tetramethylheptan-2-amine
PubChem CID115789167
Molecular FormulaC17H28BrN
Molecular Weight326.32 g/mol
Exact Mass325.14
IUPAC Name1-(3-bromophenyl)-N,4,6,6-tetramethylheptan-2-amine
SMILESCNC(Cc1cccc(Br)c1)CC(C)CC(C)(C)C
InChIInChI=1S/C17H28BrN/c1-13(12-17(2,3)4)9-16(19-5)11-14-7-6-8-15(18)10-14/h6-8,10,13,16,19H,9,11-12H2,1-5H3
InChIKeyZHBGPTUYVKGUDT-UHFFFAOYSA-N
XLogP5.04
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 ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-4-fluorophenyl)-N,4,6,6-tetramethylheptan-2-amine
CID 115818913
1-(3-bromophenyl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine
CID 65131430
1-(3-bromophenyl)-N-methylhex-4-yn-2-amine
CID 62310795
1-(3-bromophenyl)-4,4-dimethylpentan-2-ol
CID 63015862
1-(3-bromophenyl)-N-methylpent-4-yn-2-amine
CID 62234429
5-(3-bromophenyl)-N,4,4-trimethylpentan-2-amine
CID 64715737
[1-(3-bromophenyl)-4-methoxy-4-methylpentan-2-yl]hydrazine
CID 103025177
1-(3-bromophenyl)-N-methyl-3-pyridin-3-ylpropan-2-amine
CID 62550846
1-(3-bromophenyl)-3-(furan-3-yl)-N-methylpropan-2-amine
CID 83176008
1-(3-bromophenyl)-N-methyl-3-(2-methylphenyl)propan-2-amine
CID 60819427
1-(3-bromophenyl)-N-ethyl-4-methylpentan-2-amine
CID 60819223
1-(3-bromophenyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine
CID 60819594

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N,4,6,6-tetramethylheptan-2-amine?
The IUPAC name of 1-(3-bromophenyl)-N,4,6,6-tetramethylheptan-2-amine (CID 115789167) is 1-(3-bromophenyl)-N,4,6,6-tetramethylheptan-2-amine.
What is the SMILES notation for 1-(3-bromophenyl)-N,4,6,6-tetramethylheptan-2-amine?
The canonical SMILES for 1-(3-bromophenyl)-N,4,6,6-tetramethylheptan-2-amine is CNC(Cc1cccc(Br)c1)CC(C)CC(C)(C)C.
What is the InChIKey of 1-(3-bromophenyl)-N,4,6,6-tetramethylheptan-2-amine?
The InChIKey is ZHBGPTUYVKGUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BrN/c1-13(12-17(2,3)4)9-16(19-5)11-14-7-6-8-15(18)10-14/h6-8,10,13,16,19H,9,11-12H2,1-5H3.
What are the key properties of 1-(3-bromophenyl)-N,4,6,6-tetramethylheptan-2-amine?
1-(3-bromophenyl)-N,4,6,6-tetramethylheptan-2-amine has a molecular weight of 326.32 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N,4,6,6-tetramethylheptan-2-amine is sourced from PubChem (CID 115789167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).