4-(5-bromo-2-fluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine

C15H23BrFN — CID 64666270

IUPAC4-(5-bromo-2-fluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCC(C)CCc1cc(Br)ccc1F
InChIInChI=1S/C15H23BrFN/c1-11(2)9-18-10-12(3)4-5-13-8-14(16)6-7-15(13)17/h6-8,11-12,18H,4-5,9-10H2,1-3H3
InChIKeyGDWCMCCABARWOL-UHFFFAOYSA-N
MW316.26 g/mol
LogP4.40
Rot. Bonds7

About 4-(5-bromo-2-fluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine

4-(5-bromo-2-fluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine (PubChem CID 64666270) has the molecular formula C15H23BrFN and a molecular weight of 316.26 g/mol. Its IUPAC name is 4-(5-bromo-2-fluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name4-(5-bromo-2-fluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
PubChem CID64666270
Molecular FormulaC15H23BrFN
Molecular Weight316.26 g/mol
Exact Mass315.10
IUPAC Name4-(5-bromo-2-fluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCC(C)CCc1cc(Br)ccc1F
InChIInChI=1S/C15H23BrFN/c1-11(2)9-18-10-12(3)4-5-13-8-14(16)6-7-15(13)17/h6-8,11-12,18H,4-5,9-10H2,1-3H3
InChIKeyGDWCMCCABARWOL-UHFFFAOYSA-N
XLogP4.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.26
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(5-bromo-2-fluorophenyl)pentane-2,3-diol
CID 83933937
N-[(5-bromo-2-fluorophenyl)methyl]-3-chloro-2-methylpropan-1-amine
CID 65037198
4-(5-fluoro-2-methylphenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 105375543
4-(2-chloro-3-fluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 112654588
3-(5-bromo-2-fluorophenyl)-2-methyl-N-propylpropan-1-amine
CID 62529881
4-(2-chloro-4-fluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 64665030
N-[2-(5-bromo-2-fluorophenyl)ethyl]propan-2-amine
CID 62548311
5-(5-bromo-2-fluorophenyl)pentan-2-ol
CID 64514586
4-(5-chloro-2-fluorophenyl)-N,2-dimethylbutan-1-amine
CID 103050463
N-[[2-[(5-bromo-2-fluorophenyl)methyl]cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81028553
4-(2,5-difluorophenyl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 64666043
1-(5-bromo-2-fluorophenyl)hexane-3,4-diol
CID 83933938

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-fluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 4-(5-bromo-2-fluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine (CID 64666270) is 4-(5-bromo-2-fluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 4-(5-bromo-2-fluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 4-(5-bromo-2-fluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine is CC(C)CNCC(C)CCc1cc(Br)ccc1F.
What is the InChIKey of 4-(5-bromo-2-fluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine?
The InChIKey is GDWCMCCABARWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrFN/c1-11(2)9-18-10-12(3)4-5-13-8-14(16)6-7-15(13)17/h6-8,11-12,18H,4-5,9-10H2,1-3H3.
What are the key properties of 4-(5-bromo-2-fluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine?
4-(5-bromo-2-fluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine has a molecular weight of 316.26 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-fluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 64666270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).