3-(3-bromo-4-fluorophenyl)-1-cyclohexyl-1-ethoxypropan-2-amine

C17H25BrFNO — CID 116772018

IUPAC3-(3-bromo-4-fluorophenyl)-1-cyclohexyl-1-ethoxypropan-2-amine
SMILESCCOC(C(N)Cc1ccc(F)c(Br)c1)C1CCCCC1
InChIInChI=1S/C17H25BrFNO/c1-2-21-17(13-6-4-3-5-7-13)16(20)11-12-8-9-15(19)14(18)10-12/h8-10,13,16-17H,2-7,11,20H2,1H3
InChIKeyATPFBCDTURMKPD-UHFFFAOYSA-N
MW358.30 g/mol
LogP4.44
Rot. Bonds6

About 3-(3-bromo-4-fluorophenyl)-1-cyclohexyl-1-ethoxypropan-2-amine

3-(3-bromo-4-fluorophenyl)-1-cyclohexyl-1-ethoxypropan-2-amine (PubChem CID 116772018) has the molecular formula C17H25BrFNO and a molecular weight of 358.30 g/mol. Its IUPAC name is 3-(3-bromo-4-fluorophenyl)-1-cyclohexyl-1-ethoxypropan-2-amine.

Molecular Properties

Compound Name3-(3-bromo-4-fluorophenyl)-1-cyclohexyl-1-ethoxypropan-2-amine
PubChem CID116772018
Molecular FormulaC17H25BrFNO
Molecular Weight358.30 g/mol
Exact Mass357.11
IUPAC Name3-(3-bromo-4-fluorophenyl)-1-cyclohexyl-1-ethoxypropan-2-amine
SMILESCCOC(C(N)Cc1ccc(F)c(Br)c1)C1CCCCC1
InChIInChI=1S/C17H25BrFNO/c1-2-21-17(13-6-4-3-5-7-13)16(20)11-12-8-9-15(19)14(18)10-12/h8-10,13,16-17H,2-7,11,20H2,1H3
InChIKeyATPFBCDTURMKPD-UHFFFAOYSA-N
XLogP4.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.30
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chloro-4-fluorophenyl)-1-cyclopropyl-1-ethoxypropan-2-amine
CID 103040498
3-(2-bromo-5-fluorophenyl)-1-cyclohexyl-1-ethoxypropan-2-amine
CID 116771947
1-(3-bromo-4-fluorophenyl)-3-ethoxyhexan-2-amine
CID 116717426
3-(2-chloro-4-fluorophenyl)-1-cyclohexyl-1-ethoxypropan-2-amine
CID 116772044
2-(3-bromo-4-fluorophenyl)-1-cyclobutyl-N-methylethanamine
CID 64987034
1-cyclohexyl-3-(2,6-dimethylphenyl)-1-ethoxypropan-2-amine
CID 116772041
1-(3-bromo-2,6-difluorophenyl)-2-cyclohexyl-2-ethoxyethanol
CID 106942130
2-cyclohexyl-2-ethoxy-1-(4-fluoro-3-methylphenyl)ethanamine
CID 116772073
1-cyclopropyl-3-(2,6-difluorophenyl)-1-ethoxypropan-2-amine
CID 114932668
2-(3-bromo-4-fluorophenyl)-1-cyclobutylethanol
CID 64986950
1-(3-bromo-4-fluorophenyl)-3,4-dimethylpentan-2-amine
CID 115818971
2-cyclohexyl-2-ethoxy-1-(3-fluoro-4-methylphenyl)ethanamine
CID 107129246

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-fluorophenyl)-1-cyclohexyl-1-ethoxypropan-2-amine?
The IUPAC name of 3-(3-bromo-4-fluorophenyl)-1-cyclohexyl-1-ethoxypropan-2-amine (CID 116772018) is 3-(3-bromo-4-fluorophenyl)-1-cyclohexyl-1-ethoxypropan-2-amine.
What is the SMILES notation for 3-(3-bromo-4-fluorophenyl)-1-cyclohexyl-1-ethoxypropan-2-amine?
The canonical SMILES for 3-(3-bromo-4-fluorophenyl)-1-cyclohexyl-1-ethoxypropan-2-amine is CCOC(C(N)Cc1ccc(F)c(Br)c1)C1CCCCC1.
What is the InChIKey of 3-(3-bromo-4-fluorophenyl)-1-cyclohexyl-1-ethoxypropan-2-amine?
The InChIKey is ATPFBCDTURMKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrFNO/c1-2-21-17(13-6-4-3-5-7-13)16(20)11-12-8-9-15(19)14(18)10-12/h8-10,13,16-17H,2-7,11,20H2,1H3.
What are the key properties of 3-(3-bromo-4-fluorophenyl)-1-cyclohexyl-1-ethoxypropan-2-amine?
3-(3-bromo-4-fluorophenyl)-1-cyclohexyl-1-ethoxypropan-2-amine has a molecular weight of 358.30 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-fluorophenyl)-1-cyclohexyl-1-ethoxypropan-2-amine is sourced from PubChem (CID 116772018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).