1-(2-bromo-3-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine

C17H25BrFNO — CID 103169265

IUPAC1-(2-bromo-3-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine
SMILESCCNC(Cc1cccc(F)c1Br)CC1CC(OCC)C1
InChIInChI=1S/C17H25BrFNO/c1-3-20-14(8-12-9-15(10-12)21-4-2)11-13-6-5-7-16(19)17(13)18/h5-7,12,14-15,20H,3-4,8-11H2,1-2H3
InChIKeyJSAVLSGSMYJVOH-UHFFFAOYSA-N
MW358.30 g/mol
LogP4.31
Rot. Bonds8

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

1-(2-bromo-3-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine (PubChem CID 103169265) has the molecular formula C17H25BrFNO and a molecular weight of 358.30 g/mol. Its IUPAC name is 1-(2-bromo-3-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-(2-bromo-3-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine
PubChem CID103169265
Molecular FormulaC17H25BrFNO
Molecular Weight358.30 g/mol
Exact Mass357.11
IUPAC Name1-(2-bromo-3-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine
SMILESCCNC(Cc1cccc(F)c1Br)CC1CC(OCC)C1
InChIInChI=1S/C17H25BrFNO/c1-3-20-14(8-12-9-15(10-12)21-4-2)11-13-6-5-7-16(19)17(13)18/h5-7,12,14-15,20H,3-4,8-11H2,1-2H3
InChIKeyJSAVLSGSMYJVOH-UHFFFAOYSA-N
XLogP4.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.30
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-bromo-3-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(2-bromo-3-fluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-yl]hydrazine
CID 103170713
1-(3-ethoxycyclobutyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine
CID 103164148
1-(2-bromo-3-fluorophenyl)-3-cyclopentyl-N-ethylpropan-2-amine
CID 105020430
1-(2-bromo-3-fluorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine
CID 105020439
1-(2-chloro-6-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine
CID 103164119
1-(2-bromo-3-fluorophenyl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 105172034
1-(2-bromo-3-fluorophenyl)-N-ethylpent-4-en-2-amine
CID 116660745
1-(3-bromo-5-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine
CID 103169189
1-(2,3-difluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-ol
CID 103166460
1-(2-bromo-4-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-methylpropan-2-amine
CID 103168471
1-(5-chlorothiophen-2-yl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine
CID 103168454
1-(2,6-difluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-ol
CID 103166461

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine?
The IUPAC name of 1-(2-bromo-3-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine (CID 103169265) is 1-(2-bromo-3-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine.
What is the SMILES notation for 1-(2-bromo-3-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine?
The canonical SMILES for 1-(2-bromo-3-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine is CCNC(Cc1cccc(F)c1Br)CC1CC(OCC)C1.
What is the InChIKey of 1-(2-bromo-3-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine?
The InChIKey is JSAVLSGSMYJVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrFNO/c1-3-20-14(8-12-9-15(10-12)21-4-2)11-13-6-5-7-16(19)17(13)18/h5-7,12,14-15,20H,3-4,8-11H2,1-2H3.
What are the key properties of 1-(2-bromo-3-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine?
1-(2-bromo-3-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine has a molecular weight of 358.30 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine is sourced from PubChem (CID 103169265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).