1-(2-bromo-4-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-methylpropan-2-amine

C16H23BrFNO — CID 103168471

IUPAC1-(2-bromo-4-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-methylpropan-2-amine
SMILESCCOC1CC(CC(Cc2ccc(F)cc2Br)NC)C1
InChIInChI=1S/C16H23BrFNO/c1-3-20-15-7-11(8-15)6-14(19-2)9-12-4-5-13(18)10-16(12)17/h4-5,10-11,14-15,19H,3,6-9H2,1-2H3
InChIKeyMCMJCNHVLVQMRB-UHFFFAOYSA-N
MW344.27 g/mol
LogP3.92
Rot. Bonds7

About 1-(2-bromo-4-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-methylpropan-2-amine

1-(2-bromo-4-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-methylpropan-2-amine (PubChem CID 103168471) has the molecular formula C16H23BrFNO and a molecular weight of 344.27 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-methylpropan-2-amine
PubChem CID103168471
Molecular FormulaC16H23BrFNO
Molecular Weight344.27 g/mol
Exact Mass343.09
IUPAC Name1-(2-bromo-4-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-methylpropan-2-amine
SMILESCCOC1CC(CC(Cc2ccc(F)cc2Br)NC)C1
InChIInChI=1S/C16H23BrFNO/c1-3-20-15-7-11(8-15)6-14(19-2)9-12-4-5-13(18)10-16(12)17/h4-5,10-11,14-15,19H,3,6-9H2,1-2H3
InChIKeyMCMJCNHVLVQMRB-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.27
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-4-fluorophenyl)-N-methyl-3-(thian-4-yl)propan-2-amine
CID 105136332
1-(2-bromo-3-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine
CID 103169265
[1-(2-bromo-3-fluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-yl]hydrazine
CID 103170713
1-(3,5-dimethylphenyl)-3-(3-ethoxycyclobutyl)-N-methylpropan-2-amine
CID 103168260
1-(2-bromo-5-fluorophenyl)-3-cyclobutyl-N-methylpropan-2-amine
CID 103168480
[1-(2-bromo-4-fluorophenyl)-4-ethoxybutan-2-yl]hydrazine
CID 105296727
[1-(4-bromo-2-chlorophenyl)-3-(3-ethoxycyclobutyl)propan-2-yl]hydrazine
CID 103170787
1-(3-ethoxycyclobutyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine
CID 103164148
1-(3-bromo-5-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine
CID 103169189
1-(2-bromo-4-fluorophenyl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine
CID 65131599
1-(2-bromo-4-fluorophenyl)-N-methyl-4-phenoxybutan-2-amine
CID 62608478
1-(2-bromo-4-fluorophenyl)-4-ethoxy-N-propylbutan-2-amine
CID 105136270

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-methylpropan-2-amine?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-methylpropan-2-amine (CID 103168471) is 1-(2-bromo-4-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-methylpropan-2-amine is CCOC1CC(CC(Cc2ccc(F)cc2Br)NC)C1.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-methylpropan-2-amine?
The InChIKey is MCMJCNHVLVQMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrFNO/c1-3-20-15-7-11(8-15)6-14(19-2)9-12-4-5-13(18)10-16(12)17/h4-5,10-11,14-15,19H,3,6-9H2,1-2H3.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-methylpropan-2-amine?
1-(2-bromo-4-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-methylpropan-2-amine has a molecular weight of 344.27 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-methylpropan-2-amine is sourced from PubChem (CID 103168471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).