4-(2-bromo-5-fluorophenyl)-3-methyl-N-propylbutan-2-amine

C14H21BrFN — CID 54891354

IUPAC4-(2-bromo-5-fluorophenyl)-3-methyl-N-propylbutan-2-amine
SMILESCCCNC(C)C(C)Cc1cc(F)ccc1Br
InChIInChI=1S/C14H21BrFN/c1-4-7-17-11(3)10(2)8-12-9-13(16)5-6-14(12)15/h5-6,9-11,17H,4,7-8H2,1-3H3
InChIKeyMPSAFCJPXUHJMD-UHFFFAOYSA-N
MW302.23 g/mol
LogP4.15
Rot. Bonds6

About 4-(2-bromo-5-fluorophenyl)-3-methyl-N-propylbutan-2-amine

4-(2-bromo-5-fluorophenyl)-3-methyl-N-propylbutan-2-amine (PubChem CID 54891354) has the molecular formula C14H21BrFN and a molecular weight of 302.23 g/mol. Its IUPAC name is 4-(2-bromo-5-fluorophenyl)-3-methyl-N-propylbutan-2-amine.

Molecular Properties

Compound Name4-(2-bromo-5-fluorophenyl)-3-methyl-N-propylbutan-2-amine
PubChem CID54891354
Molecular FormulaC14H21BrFN
Molecular Weight302.23 g/mol
Exact Mass301.08
IUPAC Name4-(2-bromo-5-fluorophenyl)-3-methyl-N-propylbutan-2-amine
SMILESCCCNC(C)C(C)Cc1cc(F)ccc1Br
InChIInChI=1S/C14H21BrFN/c1-4-7-17-11(3)10(2)8-12-9-13(16)5-6-14(12)15/h5-6,9-11,17H,4,7-8H2,1-3H3
InChIKeyMPSAFCJPXUHJMD-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

3-[(2-bromo-5-fluorophenyl)methyl]-N-propylpentan-2-amine
CID 63400302
N-[2-(2-bromo-5-fluorophenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine
CID 65419774
N-[2-(2-bromo-5-fluorophenyl)-1-(4-iodophenyl)ethyl]propan-1-amine
CID 115843853
1-(2-bromo-5-fluorophenyl)-N-propyl-3-pyridin-4-ylpropan-2-amine
CID 62605292
1-(2-bromo-5-fluorophenyl)-3-ethoxy-3-methyl-N-propylbutan-2-amine
CID 116727031
N-[1-[1-[(2-bromo-5-fluorophenyl)methyl]cyclopropyl]ethyl]propan-1-amine
CID 106798000
(2S)-1-(2-bromo-5-fluorophenyl)propan-2-amine
CID 71270516
N-[2-(2-bromo-5-fluorophenyl)-1-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 65197614
N-[2-(2-bromo-5-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethyl]propan-1-amine
CID 105136841
1-(2-bromo-5-fluorophenyl)-N,4-dimethylhexan-2-amine
CID 115843650
1-(2-bromo-5-fluorophenyl)pentan-2-amine
CID 62601078
3-[(2-bromo-5-fluorophenyl)methyl]-4-methylpentan-2-amine
CID 62915813

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-5-fluorophenyl)-3-methyl-N-propylbutan-2-amine?
The IUPAC name of 4-(2-bromo-5-fluorophenyl)-3-methyl-N-propylbutan-2-amine (CID 54891354) is 4-(2-bromo-5-fluorophenyl)-3-methyl-N-propylbutan-2-amine.
What is the SMILES notation for 4-(2-bromo-5-fluorophenyl)-3-methyl-N-propylbutan-2-amine?
The canonical SMILES for 4-(2-bromo-5-fluorophenyl)-3-methyl-N-propylbutan-2-amine is CCCNC(C)C(C)Cc1cc(F)ccc1Br.
What is the InChIKey of 4-(2-bromo-5-fluorophenyl)-3-methyl-N-propylbutan-2-amine?
The InChIKey is MPSAFCJPXUHJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrFN/c1-4-7-17-11(3)10(2)8-12-9-13(16)5-6-14(12)15/h5-6,9-11,17H,4,7-8H2,1-3H3.
What are the key properties of 4-(2-bromo-5-fluorophenyl)-3-methyl-N-propylbutan-2-amine?
4-(2-bromo-5-fluorophenyl)-3-methyl-N-propylbutan-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 4-(2-bromo-5-fluorophenyl)-3-methyl-N-propylbutan-2-amine is sourced from PubChem (CID 54891354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).