6-(3-bromo-5-fluorophenyl)-2,2-dimethylhexan-3-amine

C14H21BrFN — CID 79709444

IUPAC6-(3-bromo-5-fluorophenyl)-2,2-dimethylhexan-3-amine
SMILESCC(C)(C)C(N)CCCc1cc(F)cc(Br)c1
InChIInChI=1S/C14H21BrFN/c1-14(2,3)13(17)6-4-5-10-7-11(15)9-12(16)8-10/h7-9,13H,4-6,17H2,1-3H3
InChIKeyWQAMRFXXBCMBNT-UHFFFAOYSA-N
MW302.23 g/mol
LogP4.28
Rot. Bonds4

About 6-(3-bromo-5-fluorophenyl)-2,2-dimethylhexan-3-amine

6-(3-bromo-5-fluorophenyl)-2,2-dimethylhexan-3-amine (PubChem CID 79709444) has the molecular formula C14H21BrFN and a molecular weight of 302.23 g/mol. Its IUPAC name is 6-(3-bromo-5-fluorophenyl)-2,2-dimethylhexan-3-amine.

Molecular Properties

Compound Name6-(3-bromo-5-fluorophenyl)-2,2-dimethylhexan-3-amine
PubChem CID79709444
Molecular FormulaC14H21BrFN
Molecular Weight302.23 g/mol
Exact Mass301.08
IUPAC Name6-(3-bromo-5-fluorophenyl)-2,2-dimethylhexan-3-amine
SMILESCC(C)(C)C(N)CCCc1cc(F)cc(Br)c1
InChIInChI=1S/C14H21BrFN/c1-14(2,3)13(17)6-4-5-10-7-11(15)9-12(16)8-10/h7-9,13H,4-6,17H2,1-3H3
InChIKeyWQAMRFXXBCMBNT-UHFFFAOYSA-N
XLogP4.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.23
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-5-fluorophenyl)-4-methylpentan-3-amine
CID 79701954
6-(5-bromo-3-pyridinyl)-2,2-dimethylhexan-3-amine
CID 104811931
6-(3-bromo-5-fluorophenyl)-N-ethyl-2-methylhexan-3-amine
CID 79709529
6-(3-bromo-5-fluorophenyl)-N-methylhexan-3-amine
CID 79709363
1-(3-bromo-5-fluorophenyl)-4,4-dimethylpentan-2-amine
CID 79708487
4-(3-bromo-5-fluorophenyl)-N-propan-2-ylbutan-1-amine
CID 79709686
1-(3-bromo-5-fluorophenyl)-2,3-dimethylbutan-2-amine
CID 79702565
1-bromo-3-(3-bromohexyl)-5-fluorobenzene
CID 79709491
N-[3-(3-bromo-5-fluorophenyl)propyl]-2-methylpropan-1-amine
CID 79709252
(1R)-1-(3-bromo-5-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 130039777
2-(3-bromo-5-fluorophenyl)-N,N-dimethylethanamine
CID 171396178
1-(3-bromo-5-fluorophenyl)-2-methylbutan-2-amine
CID 79702455

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromo-5-fluorophenyl)-2,2-dimethylhexan-3-amine?
The IUPAC name of 6-(3-bromo-5-fluorophenyl)-2,2-dimethylhexan-3-amine (CID 79709444) is 6-(3-bromo-5-fluorophenyl)-2,2-dimethylhexan-3-amine.
What is the SMILES notation for 6-(3-bromo-5-fluorophenyl)-2,2-dimethylhexan-3-amine?
The canonical SMILES for 6-(3-bromo-5-fluorophenyl)-2,2-dimethylhexan-3-amine is CC(C)(C)C(N)CCCc1cc(F)cc(Br)c1.
What is the InChIKey of 6-(3-bromo-5-fluorophenyl)-2,2-dimethylhexan-3-amine?
The InChIKey is WQAMRFXXBCMBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrFN/c1-14(2,3)13(17)6-4-5-10-7-11(15)9-12(16)8-10/h7-9,13H,4-6,17H2,1-3H3.
What are the key properties of 6-(3-bromo-5-fluorophenyl)-2,2-dimethylhexan-3-amine?
6-(3-bromo-5-fluorophenyl)-2,2-dimethylhexan-3-amine has a molecular weight of 302.23 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromo-5-fluorophenyl)-2,2-dimethylhexan-3-amine is sourced from PubChem (CID 79709444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).