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

C14H21BrFN — CID 115843650

IUPAC1-(2-bromo-5-fluorophenyl)-N,4-dimethylhexan-2-amine
SMILESCCC(C)CC(Cc1cc(F)ccc1Br)NC
InChIInChI=1S/C14H21BrFN/c1-4-10(2)7-13(17-3)9-11-8-12(16)5-6-14(11)15/h5-6,8,10,13,17H,4,7,9H2,1-3H3
InChIKeyAPQXDFPBFFCTTN-UHFFFAOYSA-N
MW302.23 g/mol
LogP4.15
Rot. Bonds6

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

1-(2-bromo-5-fluorophenyl)-N,4-dimethylhexan-2-amine (PubChem CID 115843650) has the molecular formula C14H21BrFN and a molecular weight of 302.23 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)-N,4-dimethylhexan-2-amine.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-N,4-dimethylhexan-2-amine
PubChem CID115843650
Molecular FormulaC14H21BrFN
Molecular Weight302.23 g/mol
Exact Mass301.08
IUPAC Name1-(2-bromo-5-fluorophenyl)-N,4-dimethylhexan-2-amine
SMILESCCC(C)CC(Cc1cc(F)ccc1Br)NC
InChIInChI=1S/C14H21BrFN/c1-4-10(2)7-13(17-3)9-11-8-12(16)5-6-14(11)15/h5-6,8,10,13,17H,4,7,9H2,1-3H3
InChIKeyAPQXDFPBFFCTTN-UHFFFAOYSA-N
XLogP4.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.23
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-5-methoxyphenyl)-N,4-dimethylhexan-2-amine
CID 115862236
1-(2-bromo-5-fluorophenyl)-N,5-dimethylhexan-2-amine
CID 62603162
1-(5-bromo-2-fluorophenyl)-N,4-dimethylhexan-2-amine
CID 115839350
1-(2-bromo-5-fluorophenyl)-3-(4-bromophenyl)-N-methylpropan-2-amine
CID 63412893
1-(2-bromo-5-fluorophenyl)-3-(4-chlorophenyl)-N-methylpropan-2-amine
CID 63413260
[1-(2,5-difluorophenyl)-4-methylhexan-2-yl]hydrazine
CID 105288918
1-(2-bromo-5-fluorophenyl)-3-cyclobutyl-N-methylpropan-2-amine
CID 103168480
2-[(2-bromo-5-fluorophenyl)methyl]-N-methylbutan-1-amine
CID 62530745
1-(2-bromo-5-fluorophenyl)-3-(2-bromophenyl)sulfanyl-N-methylpropan-2-amine
CID 66144079
1-(2-bromo-5-fluorophenyl)-3-(3,4-dichlorophenyl)-N-methylpropan-2-amine
CID 63415665
3-[(2-bromo-5-fluorophenyl)methyl]-N-propylpentan-2-amine
CID 63400302
1-(2-bromo-5-fluorophenyl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66053668

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-N,4-dimethylhexan-2-amine?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-N,4-dimethylhexan-2-amine (CID 115843650) is 1-(2-bromo-5-fluorophenyl)-N,4-dimethylhexan-2-amine.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-N,4-dimethylhexan-2-amine?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-N,4-dimethylhexan-2-amine is CCC(C)CC(Cc1cc(F)ccc1Br)NC.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-N,4-dimethylhexan-2-amine?
The InChIKey is APQXDFPBFFCTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrFN/c1-4-10(2)7-13(17-3)9-11-8-12(16)5-6-14(11)15/h5-6,8,10,13,17H,4,7,9H2,1-3H3.
What are the key properties of 1-(2-bromo-5-fluorophenyl)-N,4-dimethylhexan-2-amine?
1-(2-bromo-5-fluorophenyl)-N,4-dimethylhexan-2-amine has a molecular weight of 302.23 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-fluorophenyl)-N,4-dimethylhexan-2-amine is sourced from PubChem (CID 115843650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).