2-[(2-bromo-5-fluorophenyl)methyl]-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine

C17H27BrFN — CID 83151219

IUPAC2-[(2-bromo-5-fluorophenyl)methyl]-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCC(C)(Cc1cc(F)ccc1Br)C(C)C
InChIInChI=1S/C17H27BrFN/c1-12(2)10-20-11-17(5,13(3)4)9-14-8-15(19)6-7-16(14)18/h6-8,12-13,20H,9-11H2,1-5H3
InChIKeyGKRZRYVRCQCQLI-UHFFFAOYSA-N
MW344.31 g/mol
LogP5.04
Rot. Bonds7

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

2-[(2-bromo-5-fluorophenyl)methyl]-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine (PubChem CID 83151219) has the molecular formula C17H27BrFN and a molecular weight of 344.31 g/mol. Its IUPAC name is 2-[(2-bromo-5-fluorophenyl)methyl]-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name2-[(2-bromo-5-fluorophenyl)methyl]-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine
PubChem CID83151219
Molecular FormulaC17H27BrFN
Molecular Weight344.31 g/mol
Exact Mass343.13
IUPAC Name2-[(2-bromo-5-fluorophenyl)methyl]-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCC(C)(Cc1cc(F)ccc1Br)C(C)C
InChIInChI=1S/C17H27BrFN/c1-12(2)10-20-11-17(5,13(3)4)9-14-8-15(19)6-7-16(14)18/h6-8,12-13,20H,9-11H2,1-5H3
InChIKeyGKRZRYVRCQCQLI-UHFFFAOYSA-N
XLogP5.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.31
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2,5-difluorophenyl)methyl]-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 83151781
4-(2-bromo-5-fluorophenyl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 81035051
2-[(2-bromo-5-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine
CID 83160097
N-[(2-bromo-5-fluorophenyl)methyl]-2-methylpropan-1-amine
CID 28566155
2-[(2-methoxyphenyl)methyl]-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 83151448
2-[(2,3-difluorophenyl)methyl]-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 83151325
2-[(2-bromo-4-fluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine
CID 63509440
2-[(4-ethylphenyl)methyl]-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 83151559
2-[(2-bromo-5-fluorophenyl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine
CID 63509190
3-(2-bromo-5-fluorophenyl)-N-tert-butyl-2,2-dimethylpropan-1-amine
CID 62723348
(2R)-1-[(2-bromo-5-fluorophenyl)methylamino]propan-2-ol
CID 93083077
N-[3-(2-bromo-5-fluorophenyl)-2-cyclopentylpropyl]-2-methylpropan-1-amine
CID 115926878

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-5-fluorophenyl)methyl]-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 2-[(2-bromo-5-fluorophenyl)methyl]-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine (CID 83151219) is 2-[(2-bromo-5-fluorophenyl)methyl]-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 2-[(2-bromo-5-fluorophenyl)methyl]-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 2-[(2-bromo-5-fluorophenyl)methyl]-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine is CC(C)CNCC(C)(Cc1cc(F)ccc1Br)C(C)C.
What is the InChIKey of 2-[(2-bromo-5-fluorophenyl)methyl]-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine?
The InChIKey is GKRZRYVRCQCQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrFN/c1-12(2)10-20-11-17(5,13(3)4)9-14-8-15(19)6-7-16(14)18/h6-8,12-13,20H,9-11H2,1-5H3.
What are the key properties of 2-[(2-bromo-5-fluorophenyl)methyl]-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine?
2-[(2-bromo-5-fluorophenyl)methyl]-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine has a molecular weight of 344.31 g/mol, XLogP of 5.04, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-5-fluorophenyl)methyl]-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 83151219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).