1-(2-bromo-3-fluorophenyl)-N,4,5,5-tetramethylhexan-2-amine

C16H25BrFN — CID 105020658

IUPAC1-(2-bromo-3-fluorophenyl)-N,4,5,5-tetramethylhexan-2-amine
SMILESCNC(Cc1cccc(F)c1Br)CC(C)C(C)(C)C
InChIInChI=1S/C16H25BrFN/c1-11(16(2,3)4)9-13(19-5)10-12-7-6-8-14(18)15(12)17/h6-8,11,13,19H,9-10H2,1-5H3
InChIKeyKTLQFQAYUQGEFL-UHFFFAOYSA-N
MW330.29 g/mol
LogP4.79
Rot. Bonds5

About 1-(2-bromo-3-fluorophenyl)-N,4,5,5-tetramethylhexan-2-amine

1-(2-bromo-3-fluorophenyl)-N,4,5,5-tetramethylhexan-2-amine (PubChem CID 105020658) has the molecular formula C16H25BrFN and a molecular weight of 330.29 g/mol. Its IUPAC name is 1-(2-bromo-3-fluorophenyl)-N,4,5,5-tetramethylhexan-2-amine.

Molecular Properties

Compound Name1-(2-bromo-3-fluorophenyl)-N,4,5,5-tetramethylhexan-2-amine
PubChem CID105020658
Molecular FormulaC16H25BrFN
Molecular Weight330.29 g/mol
Exact Mass329.12
IUPAC Name1-(2-bromo-3-fluorophenyl)-N,4,5,5-tetramethylhexan-2-amine
SMILESCNC(Cc1cccc(F)c1Br)CC(C)C(C)(C)C
InChIInChI=1S/C16H25BrFN/c1-11(16(2,3)4)9-13(19-5)10-12-7-6-8-14(18)15(12)17/h6-8,11,13,19H,9-10H2,1-5H3
InChIKeyKTLQFQAYUQGEFL-UHFFFAOYSA-N
XLogP4.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.29
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1-(2-bromo-3-fluorophenyl)-N-methyl-5-phenylpentan-2-amine
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N-[(2-bromo-3-fluorophenyl)methyl]-3,3-dimethylbutan-2-amine
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1-(2-chloro-3-fluorophenyl)-N,4-dimethylpentan-2-amine
CID 112653598
1-(2-bromo-3-fluorophenyl)-N-methyl-4-pyridin-2-ylbutan-2-amine
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1-(2-bromo-3-fluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine
CID 105172212
1-(2-bromo-3-fluorophenyl)-N-ethylpent-4-en-2-amine
CID 116660745
[1-(2-bromo-3-fluorophenyl)-3-(2,6-difluorophenyl)propan-2-yl]hydrazine
CID 105327024
1-(2-bromo-3-fluorophenyl)-4-methylsulfanyl-N-propylbutan-2-amine
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CID 105020405

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-fluorophenyl)-N,4,5,5-tetramethylhexan-2-amine?
The IUPAC name of 1-(2-bromo-3-fluorophenyl)-N,4,5,5-tetramethylhexan-2-amine (CID 105020658) is 1-(2-bromo-3-fluorophenyl)-N,4,5,5-tetramethylhexan-2-amine.
What is the SMILES notation for 1-(2-bromo-3-fluorophenyl)-N,4,5,5-tetramethylhexan-2-amine?
The canonical SMILES for 1-(2-bromo-3-fluorophenyl)-N,4,5,5-tetramethylhexan-2-amine is CNC(Cc1cccc(F)c1Br)CC(C)C(C)(C)C.
What is the InChIKey of 1-(2-bromo-3-fluorophenyl)-N,4,5,5-tetramethylhexan-2-amine?
The InChIKey is KTLQFQAYUQGEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrFN/c1-11(16(2,3)4)9-13(19-5)10-12-7-6-8-14(18)15(12)17/h6-8,11,13,19H,9-10H2,1-5H3.
What are the key properties of 1-(2-bromo-3-fluorophenyl)-N,4,5,5-tetramethylhexan-2-amine?
1-(2-bromo-3-fluorophenyl)-N,4,5,5-tetramethylhexan-2-amine has a molecular weight of 330.29 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-fluorophenyl)-N,4,5,5-tetramethylhexan-2-amine is sourced from PubChem (CID 105020658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).