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

C14H21BrFN — CID 115839350

IUPAC1-(5-bromo-2-fluorophenyl)-N,4-dimethylhexan-2-amine
SMILESCCC(C)CC(Cc1cc(Br)ccc1F)NC
InChIInChI=1S/C14H21BrFN/c1-4-10(2)7-13(17-3)9-11-8-12(15)5-6-14(11)16/h5-6,8,10,13,17H,4,7,9H2,1-3H3
InChIKeyVSPOOCURTCVLHY-UHFFFAOYSA-N
MW302.23 g/mol
LogP4.15
Rot. Bonds6

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

1-(5-bromo-2-fluorophenyl)-N,4-dimethylhexan-2-amine (PubChem CID 115839350) has the molecular formula C14H21BrFN and a molecular weight of 302.23 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-N,4-dimethylhexan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-N,4-dimethylhexan-2-amine
PubChem CID115839350
Molecular FormulaC14H21BrFN
Molecular Weight302.23 g/mol
Exact Mass301.08
IUPAC Name1-(5-bromo-2-fluorophenyl)-N,4-dimethylhexan-2-amine
SMILESCCC(C)CC(Cc1cc(Br)ccc1F)NC
InChIInChI=1S/C14H21BrFN/c1-4-10(2)7-13(17-3)9-11-8-12(15)5-6-14(11)16/h5-6,8,10,13,17H,4,7,9H2,1-3H3
InChIKeyVSPOOCURTCVLHY-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-(5-bromo-2-fluorophenyl)-5-methoxy-N,4-dimethylpentan-2-amine
CID 105132287
1-(5-bromo-2-fluorophenyl)-N-methyl-3-propylsulfanylpropan-2-amine
CID 65128799
1-(2-bromo-5-fluorophenyl)-N,4-dimethylhexan-2-amine
CID 115843650
1-(4-bromophenyl)-N,4-dimethylhexan-2-amine
CID 62602616
1-(5-bromo-2-fluorophenyl)-N-methyl-3-methylsulfonylpropan-2-amine
CID 113229521
1-(5-bromo-2-fluorophenyl)-N-methyl-5-phenylpentan-2-amine
CID 105131693
3-(5-bromo-2-fluorophenyl)-2-methyl-N-propylpropan-1-amine
CID 62529881
1-(5-chloro-2-fluorophenyl)-N-ethyl-4-methylhexan-2-amine
CID 103052938
[1-(2,5-difluorophenyl)-4-methylhexan-2-yl]hydrazine
CID 105288918
1-(5-bromo-2-fluorophenyl)-3-(3-fluorophenyl)-N-methylpropan-2-amine
CID 62601970
[1-(5-bromo-2-fluorophenyl)-3-methylpentan-2-yl]hydrazine
CID 105219642
3-(5-bromo-2-fluorophenyl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine
CID 79093212

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-N,4-dimethylhexan-2-amine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-N,4-dimethylhexan-2-amine (CID 115839350) is 1-(5-bromo-2-fluorophenyl)-N,4-dimethylhexan-2-amine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-N,4-dimethylhexan-2-amine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-N,4-dimethylhexan-2-amine is CCC(C)CC(Cc1cc(Br)ccc1F)NC.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-N,4-dimethylhexan-2-amine?
The InChIKey is VSPOOCURTCVLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrFN/c1-4-10(2)7-13(17-3)9-11-8-12(15)5-6-14(11)16/h5-6,8,10,13,17H,4,7,9H2,1-3H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-N,4-dimethylhexan-2-amine?
1-(5-bromo-2-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-(5-bromo-2-fluorophenyl)-N,4-dimethylhexan-2-amine is sourced from PubChem (CID 115839350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).