4-(3-bromo-5-fluorophenyl)-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine

C16H25BrFN — CID 81017251

IUPAC4-(3-bromo-5-fluorophenyl)-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCC(C)C(C)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C16H25BrFN/c1-11(2)9-19-10-13(4)12(3)5-14-6-15(17)8-16(18)7-14/h6-8,11-13,19H,5,9-10H2,1-4H3
InChIKeyJWQMUKGUPJQUCC-UHFFFAOYSA-N
MW330.29 g/mol
LogP4.65
Rot. Bonds7

About 4-(3-bromo-5-fluorophenyl)-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine

4-(3-bromo-5-fluorophenyl)-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine (PubChem CID 81017251) has the molecular formula C16H25BrFN and a molecular weight of 330.29 g/mol. Its IUPAC name is 4-(3-bromo-5-fluorophenyl)-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name4-(3-bromo-5-fluorophenyl)-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine
PubChem CID81017251
Molecular FormulaC16H25BrFN
Molecular Weight330.29 g/mol
Exact Mass329.12
IUPAC Name4-(3-bromo-5-fluorophenyl)-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCC(C)C(C)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C16H25BrFN/c1-11(2)9-19-10-13(4)12(3)5-14-6-15(17)8-16(18)7-14/h6-8,11-13,19H,5,9-10H2,1-4H3
InChIKeyJWQMUKGUPJQUCC-UHFFFAOYSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.29
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3-bromo-5-fluorophenyl)methyl]-4-methyl-N-(2-methylpropyl)pentan-1-amine
CID 79708857
N-[3-(3-bromo-5-fluorophenyl)propyl]-2-methylpropan-1-amine
CID 79709252
1-(3-bromo-5-fluorophenyl)-N,2-dimethylpentan-3-amine
CID 79702857
2-[(3-bromo-5-fluorophenyl)methyl]-N-ethyl-4-methylpentan-1-amine
CID 79708447
N-[[1-[(3-bromo-5-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine
CID 79709667
2-[(3-bromo-5-fluorophenyl)methyl]-N-ethylbutan-1-amine
CID 79708448
N-[[1-[(3-bromo-5-fluorophenyl)methyl]cyclohexyl]methyl]-2-methylpropan-1-amine
CID 79697362
3-(3-bromo-5-fluorophenyl)-N,2-dimethyl-1-phenylpropan-1-amine
CID 104845358
1-(3-bromo-5-fluorophenyl)-4-methyl-N-propylpentan-2-amine
CID 79709200
2-[(3-bromo-5-fluorophenyl)methyl]-N-ethylpentan-1-amine
CID 79708937
N-[2-cyclopentyl-3-(3,5-difluorophenyl)propyl]-2-methylpropan-1-amine
CID 105408541
3-(3,5-difluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 81018091

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-5-fluorophenyl)-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 4-(3-bromo-5-fluorophenyl)-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine (CID 81017251) is 4-(3-bromo-5-fluorophenyl)-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 4-(3-bromo-5-fluorophenyl)-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 4-(3-bromo-5-fluorophenyl)-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine is CC(C)CNCC(C)C(C)Cc1cc(F)cc(Br)c1.
What is the InChIKey of 4-(3-bromo-5-fluorophenyl)-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine?
The InChIKey is JWQMUKGUPJQUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrFN/c1-11(2)9-19-10-13(4)12(3)5-14-6-15(17)8-16(18)7-14/h6-8,11-13,19H,5,9-10H2,1-4H3.
What are the key properties of 4-(3-bromo-5-fluorophenyl)-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine?
4-(3-bromo-5-fluorophenyl)-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine has a molecular weight of 330.29 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-5-fluorophenyl)-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 81017251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).