1-(5-bromo-2-chlorophenyl)-4,4-dimethylpentan-1-amine

C13H19BrClN — CID 115849776

IUPAC1-(5-bromo-2-chlorophenyl)-4,4-dimethylpentan-1-amine
SMILESCC(C)(C)CCC(N)c1cc(Br)ccc1Cl
InChIInChI=1S/C13H19BrClN/c1-13(2,3)7-6-12(16)10-8-9(14)4-5-11(10)15/h4-5,8,12H,6-7,16H2,1-3H3
InChIKeyNDGXEDNNZNDIHQ-UHFFFAOYSA-N
MW304.66 g/mol
LogP4.93
Rot. Bonds3

About 1-(5-bromo-2-chlorophenyl)-4,4-dimethylpentan-1-amine

1-(5-bromo-2-chlorophenyl)-4,4-dimethylpentan-1-amine (PubChem CID 115849776) has the molecular formula C13H19BrClN and a molecular weight of 304.66 g/mol. Its IUPAC name is 1-(5-bromo-2-chlorophenyl)-4,4-dimethylpentan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-2-chlorophenyl)-4,4-dimethylpentan-1-amine
PubChem CID115849776
Molecular FormulaC13H19BrClN
Molecular Weight304.66 g/mol
Exact Mass303.04
IUPAC Name1-(5-bromo-2-chlorophenyl)-4,4-dimethylpentan-1-amine
SMILESCC(C)(C)CCC(N)c1cc(Br)ccc1Cl
InChIInChI=1S/C13H19BrClN/c1-13(2,3)7-6-12(16)10-8-9(14)4-5-11(10)15/h4-5,8,12H,6-7,16H2,1-3H3
InChIKeyNDGXEDNNZNDIHQ-UHFFFAOYSA-N
XLogP4.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.66
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-amino-3-(5-bromo-2-chlorophenyl)propan-1-ol
CID 84711249
(3R)-3-amino-3-(5-bromo-2-chlorophenyl)propan-1-ol
CID 130740189
1-(5-bromo-2-chlorophenyl)propan-1-amine
CID 83988605
(3S)-3-amino-3-(5-bromo-2-chlorophenyl)propan-1-ol;hydrochloride
CID 171223578
(1R)-1-(5-bromo-2-chlorophenyl)propan-1-amine;hydrochloride
CID 171203975
1-(5-bromo-2-chlorophenyl)pent-4-yn-1-amine
CID 115859145
1-(5-bromo-2-chlorophenyl)-4-methylsulfonylbutan-1-amine
CID 115820284
1-(5-bromo-2-chlorophenyl)-3-methylbutan-1-amine
CID 83988607
1-(2-bromo-5-fluorophenyl)-4,4-dimethylpentan-1-amine
CID 115850151
1-(5-bromo-2-iodophenyl)-5,5-dimethylhexan-1-amine
CID 114211015
1-(2-bromo-4-methylphenyl)-4,4-dimethylpentan-1-amine
CID 115850161
(3S)-3-amino-3-(5-bromo-2-chlorophenyl)-2,2-dimethylpropan-1-ol
CID 131513048

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-chlorophenyl)-4,4-dimethylpentan-1-amine?
The IUPAC name of 1-(5-bromo-2-chlorophenyl)-4,4-dimethylpentan-1-amine (CID 115849776) is 1-(5-bromo-2-chlorophenyl)-4,4-dimethylpentan-1-amine.
What is the SMILES notation for 1-(5-bromo-2-chlorophenyl)-4,4-dimethylpentan-1-amine?
The canonical SMILES for 1-(5-bromo-2-chlorophenyl)-4,4-dimethylpentan-1-amine is CC(C)(C)CCC(N)c1cc(Br)ccc1Cl.
What is the InChIKey of 1-(5-bromo-2-chlorophenyl)-4,4-dimethylpentan-1-amine?
The InChIKey is NDGXEDNNZNDIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrClN/c1-13(2,3)7-6-12(16)10-8-9(14)4-5-11(10)15/h4-5,8,12H,6-7,16H2,1-3H3.
What are the key properties of 1-(5-bromo-2-chlorophenyl)-4,4-dimethylpentan-1-amine?
1-(5-bromo-2-chlorophenyl)-4,4-dimethylpentan-1-amine has a molecular weight of 304.66 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-chlorophenyl)-4,4-dimethylpentan-1-amine is sourced from PubChem (CID 115849776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).