1-(3-bromo-4-fluorophenyl)-3,4-dimethylpentan-2-amine

C13H19BrFN — CID 115818971

IUPAC1-(3-bromo-4-fluorophenyl)-3,4-dimethylpentan-2-amine
SMILESCC(C)C(C)C(N)Cc1ccc(F)c(Br)c1
InChIInChI=1S/C13H19BrFN/c1-8(2)9(3)13(16)7-10-4-5-12(15)11(14)6-10/h4-6,8-9,13H,7,16H2,1-3H3
InChIKeyLDICVYKHURHBPD-UHFFFAOYSA-N
MW288.20 g/mol
LogP3.75
Rot. Bonds4

About 1-(3-bromo-4-fluorophenyl)-3,4-dimethylpentan-2-amine

1-(3-bromo-4-fluorophenyl)-3,4-dimethylpentan-2-amine (PubChem CID 115818971) has the molecular formula C13H19BrFN and a molecular weight of 288.20 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-3,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-3,4-dimethylpentan-2-amine
PubChem CID115818971
Molecular FormulaC13H19BrFN
Molecular Weight288.20 g/mol
Exact Mass287.07
IUPAC Name1-(3-bromo-4-fluorophenyl)-3,4-dimethylpentan-2-amine
SMILESCC(C)C(C)C(N)Cc1ccc(F)c(Br)c1
InChIInChI=1S/C13H19BrFN/c1-8(2)9(3)13(16)7-10-4-5-12(15)11(14)6-10/h4-6,8-9,13H,7,16H2,1-3H3
InChIKeyLDICVYKHURHBPD-UHFFFAOYSA-N
XLogP3.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.20
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-4-fluorophenyl)-3-ethoxyhexan-2-amine
CID 116717426
2-(3-bromo-4-fluorophenyl)-1-(4-methylphenyl)ethanamine
CID 54971855
2-[(3-bromo-4-fluorophenyl)methyl]-4-methylpentan-1-amine
CID 62505363
4-amino-1-(3-bromo-4-fluorophenyl)-5-methylhexan-2-one
CID 116606300
1-(3-bromo-4-fluorophenyl)-3-N,3-N,3-trimethylbutane-2,3-diamine
CID 79053276
methyl (2S)-2-amino-3-(3-bromo-4-fluorophenyl)propanoate
CID 68768500
1-(3-bromo-4-chlorophenyl)-3-methylbutan-2-amine
CID 83230541
3-amino-1-(3-bromo-4-fluorophenyl)butan-2-one
CID 116551731
(2S)-2-amino-3-(3-bromo-4-fluorophenyl)propanoic acid;hydrochloride
CID 53360787
3-(3-bromo-4-fluorophenyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62528281
2-(3-bromo-4-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 115818932
1-(3-bromo-4-fluorophenyl)-3-tert-butylsulfanylpropan-2-amine
CID 65132326

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-3,4-dimethylpentan-2-amine?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-3,4-dimethylpentan-2-amine (CID 115818971) is 1-(3-bromo-4-fluorophenyl)-3,4-dimethylpentan-2-amine.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-3,4-dimethylpentan-2-amine?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-3,4-dimethylpentan-2-amine is CC(C)C(C)C(N)Cc1ccc(F)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-3,4-dimethylpentan-2-amine?
The InChIKey is LDICVYKHURHBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrFN/c1-8(2)9(3)13(16)7-10-4-5-12(15)11(14)6-10/h4-6,8-9,13H,7,16H2,1-3H3.
What are the key properties of 1-(3-bromo-4-fluorophenyl)-3,4-dimethylpentan-2-amine?
1-(3-bromo-4-fluorophenyl)-3,4-dimethylpentan-2-amine has a molecular weight of 288.20 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-fluorophenyl)-3,4-dimethylpentan-2-amine is sourced from PubChem (CID 115818971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).