1-(5-bromo-2-fluorophenyl)-3-(1-methoxycyclobutyl)-N-methylpropan-2-amine

C15H21BrFNO — CID 103559180

IUPAC1-(5-bromo-2-fluorophenyl)-3-(1-methoxycyclobutyl)-N-methylpropan-2-amine
SMILESCNC(Cc1cc(Br)ccc1F)CC1(OC)CCC1
InChIInChI=1S/C15H21BrFNO/c1-18-13(10-15(19-2)6-3-7-15)9-11-8-12(16)4-5-14(11)17/h4-5,8,13,18H,3,6-7,9-10H2,1-2H3
InChIKeyCLOVMJQSUIPWAO-UHFFFAOYSA-N
MW330.24 g/mol
LogP3.68
Rot. Bonds6

About 1-(5-bromo-2-fluorophenyl)-3-(1-methoxycyclobutyl)-N-methylpropan-2-amine

1-(5-bromo-2-fluorophenyl)-3-(1-methoxycyclobutyl)-N-methylpropan-2-amine (PubChem CID 103559180) has the molecular formula C15H21BrFNO and a molecular weight of 330.24 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-3-(1-methoxycyclobutyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-3-(1-methoxycyclobutyl)-N-methylpropan-2-amine
PubChem CID103559180
Molecular FormulaC15H21BrFNO
Molecular Weight330.24 g/mol
Exact Mass329.08
IUPAC Name1-(5-bromo-2-fluorophenyl)-3-(1-methoxycyclobutyl)-N-methylpropan-2-amine
SMILESCNC(Cc1cc(Br)ccc1F)CC1(OC)CCC1
InChIInChI=1S/C15H21BrFNO/c1-18-13(10-15(19-2)6-3-7-15)9-11-8-12(16)4-5-14(11)17/h4-5,8,13,18H,3,6-7,9-10H2,1-2H3
InChIKeyCLOVMJQSUIPWAO-UHFFFAOYSA-N
XLogP3.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.24
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanol
CID 116710491
1-(5-bromo-2-fluorophenyl)-5-methoxy-N,4-dimethylpentan-2-amine
CID 105132287
1-(2,5-dibromophenyl)-2-(1-methoxycyclobutyl)-N-methylethanamine
CID 103556161
1-(5-bromo-2-fluorophenyl)-N,4-dimethylhexan-2-amine
CID 115839350
1-(5-bromo-2-fluorophenyl)-N-methyl-3-methylsulfonylpropan-2-amine
CID 113229521
1-(5-bromo-2-methoxyphenyl)-3-(1-methoxycyclobutyl)propan-2-amine
CID 103559107
1-(5-bromo-2-fluorophenyl)-N-methyl-3-propylsulfanylpropan-2-amine
CID 65128799
2-(5-bromo-2-fluorophenyl)-1-(4,4-dimethylcyclohexyl)-N-methylethanamine
CID 65392217
1-(5-bromo-2-fluorophenyl)-3-(3-fluorophenyl)-N-methylpropan-2-amine
CID 62601970
1-(4-bromo-2,5-difluorophenyl)-2-(1-methoxycyclobutyl)-N-methylethanamine
CID 103556380
[1-(3-bromo-5-fluorophenyl)-3-(1-methoxycyclobutyl)propan-2-yl]hydrazine
CID 103560538
1-(3,4-difluorophenyl)-3-(1-methoxycyclobutyl)-N-propylpropan-2-amine
CID 103556973

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-3-(1-methoxycyclobutyl)-N-methylpropan-2-amine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-3-(1-methoxycyclobutyl)-N-methylpropan-2-amine (CID 103559180) is 1-(5-bromo-2-fluorophenyl)-3-(1-methoxycyclobutyl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-3-(1-methoxycyclobutyl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-3-(1-methoxycyclobutyl)-N-methylpropan-2-amine is CNC(Cc1cc(Br)ccc1F)CC1(OC)CCC1.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-3-(1-methoxycyclobutyl)-N-methylpropan-2-amine?
The InChIKey is CLOVMJQSUIPWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFNO/c1-18-13(10-15(19-2)6-3-7-15)9-11-8-12(16)4-5-14(11)17/h4-5,8,13,18H,3,6-7,9-10H2,1-2H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-3-(1-methoxycyclobutyl)-N-methylpropan-2-amine?
1-(5-bromo-2-fluorophenyl)-3-(1-methoxycyclobutyl)-N-methylpropan-2-amine has a molecular weight of 330.24 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-3-(1-methoxycyclobutyl)-N-methylpropan-2-amine is sourced from PubChem (CID 103559180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).