4-(2-bromo-4-fluorophenyl)-2-methyl-N-propan-2-ylbutan-1-amine

C14H21BrFN — CID 64665424

IUPAC4-(2-bromo-4-fluorophenyl)-2-methyl-N-propan-2-ylbutan-1-amine
SMILESCC(CCc1ccc(F)cc1Br)CNC(C)C
InChIInChI=1S/C14H21BrFN/c1-10(2)17-9-11(3)4-5-12-6-7-13(16)8-14(12)15/h6-8,10-11,17H,4-5,9H2,1-3H3
InChIKeyKGOJAVOVUKAOME-UHFFFAOYSA-N
MW302.23 g/mol
LogP4.15
Rot. Bonds6

About 4-(2-bromo-4-fluorophenyl)-2-methyl-N-propan-2-ylbutan-1-amine

4-(2-bromo-4-fluorophenyl)-2-methyl-N-propan-2-ylbutan-1-amine (PubChem CID 64665424) has the molecular formula C14H21BrFN and a molecular weight of 302.23 g/mol. Its IUPAC name is 4-(2-bromo-4-fluorophenyl)-2-methyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name4-(2-bromo-4-fluorophenyl)-2-methyl-N-propan-2-ylbutan-1-amine
PubChem CID64665424
Molecular FormulaC14H21BrFN
Molecular Weight302.23 g/mol
Exact Mass301.08
IUPAC Name4-(2-bromo-4-fluorophenyl)-2-methyl-N-propan-2-ylbutan-1-amine
SMILESCC(CCc1ccc(F)cc1Br)CNC(C)C
InChIInChI=1S/C14H21BrFN/c1-10(2)17-9-11(3)4-5-12-6-7-13(16)8-14(12)15/h6-8,10-11,17H,4-5,9H2,1-3H3
InChIKeyKGOJAVOVUKAOME-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

4-(2,5-difluorophenyl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 64666043
2-[(2-bromo-4-fluorophenyl)methyl]-N-propan-2-ylpentan-1-amine
CID 63498524
1-(2-bromo-4-fluorophenyl)-N-ethylhexan-3-amine
CID 60996816
2-bromo-1-(4-bromopentyl)-4-fluorobenzene
CID 64508019
N-[(2-bromo-4-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64568536
1-(2-bromo-4-fluorophenyl)hexan-3-amine
CID 43370453
(1R)-N-[(2-bromo-4-fluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81348351
2-bromo-1-(3-bromo-4-methoxybutyl)-4-fluorobenzene
CID 62318931
4-(2,5-dimethylphenyl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 64664141
4-(3,4-difluorophenyl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 82924989
3-[(2-bromo-4-fluorophenyl)methylamino]butan-1-ol
CID 81421994
4-(2-bromo-4-fluorophenyl)-N-tert-butyl-2,3-dimethylbutan-1-amine
CID 81016299

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-fluorophenyl)-2-methyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 4-(2-bromo-4-fluorophenyl)-2-methyl-N-propan-2-ylbutan-1-amine (CID 64665424) is 4-(2-bromo-4-fluorophenyl)-2-methyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 4-(2-bromo-4-fluorophenyl)-2-methyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 4-(2-bromo-4-fluorophenyl)-2-methyl-N-propan-2-ylbutan-1-amine is CC(CCc1ccc(F)cc1Br)CNC(C)C.
What is the InChIKey of 4-(2-bromo-4-fluorophenyl)-2-methyl-N-propan-2-ylbutan-1-amine?
The InChIKey is KGOJAVOVUKAOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrFN/c1-10(2)17-9-11(3)4-5-12-6-7-13(16)8-14(12)15/h6-8,10-11,17H,4-5,9H2,1-3H3.
What are the key properties of 4-(2-bromo-4-fluorophenyl)-2-methyl-N-propan-2-ylbutan-1-amine?
4-(2-bromo-4-fluorophenyl)-2-methyl-N-propan-2-ylbutan-1-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 4-(2-bromo-4-fluorophenyl)-2-methyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 64665424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).