1-(3-bromophenyl)-5,5-dimethylhexan-2-amine

C14H22BrN — CID 62601843

IUPAC1-(3-bromophenyl)-5,5-dimethylhexan-2-amine
SMILESCC(C)(C)CCC(N)Cc1cccc(Br)c1
InChIInChI=1S/C14H22BrN/c1-14(2,3)8-7-13(16)10-11-5-4-6-12(15)9-11/h4-6,9,13H,7-8,10,16H2,1-3H3
InChIKeyBAXXTUWMXCRMHQ-UHFFFAOYSA-N
MW284.24 g/mol
LogP4.15
Rot. Bonds4

About 1-(3-bromophenyl)-5,5-dimethylhexan-2-amine

1-(3-bromophenyl)-5,5-dimethylhexan-2-amine (PubChem CID 62601843) has the molecular formula C14H22BrN and a molecular weight of 284.24 g/mol. Its IUPAC name is 1-(3-bromophenyl)-5,5-dimethylhexan-2-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-5,5-dimethylhexan-2-amine
PubChem CID62601843
Molecular FormulaC14H22BrN
Molecular Weight284.24 g/mol
Exact Mass283.09
IUPAC Name1-(3-bromophenyl)-5,5-dimethylhexan-2-amine
SMILESCC(C)(C)CCC(N)Cc1cccc(Br)c1
InChIInChI=1S/C14H22BrN/c1-14(2,3)8-7-13(16)10-11-5-4-6-12(15)9-11/h4-6,9,13H,7-8,10,16H2,1-3H3
InChIKeyBAXXTUWMXCRMHQ-UHFFFAOYSA-N
XLogP4.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-fluorophenyl)-5,5-dimethylhexan-2-amine
CID 62602141
1-(4-bromophenyl)-5,5-dimethylhexan-2-amine
CID 62606824
2-[(3-bromophenyl)methyl]-5,5-dimethylhexan-1-ol
CID 66060363
1-(3-bromophenyl)butan-2-amine;hydrochloride
CID 170888459
1-bromo-3-(3,3-dimethylbutyl)benzene
CID 58974913
(2S)-2-amino-3-(3-bromophenyl)propan-1-ol;hydrochloride
CID 178200029
1-(3-bromophenyl)-3-methoxy-3-methylbutan-2-amine
CID 79198468
1-bromo-3-(2-bromo-3,3-dimethylbutyl)benzene
CID 63530904
1-(3-bromophenyl)-4,4-dimethylpentan-2-ol
CID 63015862
1-(3-bromophenyl)-3-ethoxy-3-methylbutan-2-amine
CID 116726195
5-(3-bromophenyl)-4-methylpentan-2-amine
CID 64719403
1-bromo-3-[2-(bromomethyl)-3,3-dimethylbutyl]benzene
CID 83142669

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-5,5-dimethylhexan-2-amine?
The IUPAC name of 1-(3-bromophenyl)-5,5-dimethylhexan-2-amine (CID 62601843) is 1-(3-bromophenyl)-5,5-dimethylhexan-2-amine.
What is the SMILES notation for 1-(3-bromophenyl)-5,5-dimethylhexan-2-amine?
The canonical SMILES for 1-(3-bromophenyl)-5,5-dimethylhexan-2-amine is CC(C)(C)CCC(N)Cc1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-5,5-dimethylhexan-2-amine?
The InChIKey is BAXXTUWMXCRMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN/c1-14(2,3)8-7-13(16)10-11-5-4-6-12(15)9-11/h4-6,9,13H,7-8,10,16H2,1-3H3.
What are the key properties of 1-(3-bromophenyl)-5,5-dimethylhexan-2-amine?
1-(3-bromophenyl)-5,5-dimethylhexan-2-amine has a molecular weight of 284.24 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-5,5-dimethylhexan-2-amine is sourced from PubChem (CID 62601843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).