3-(2-bromo-5-fluorophenyl)-1-cyclohexyl-1-ethoxypropan-2-amine

C17H25BrFNO — CID 116771947

IUPAC3-(2-bromo-5-fluorophenyl)-1-cyclohexyl-1-ethoxypropan-2-amine
SMILESCCOC(C(N)Cc1cc(F)ccc1Br)C1CCCCC1
InChIInChI=1S/C17H25BrFNO/c1-2-21-17(12-6-4-3-5-7-12)16(20)11-13-10-14(19)8-9-15(13)18/h8-10,12,16-17H,2-7,11,20H2,1H3
InChIKeyCAVCCRJACVUPEL-UHFFFAOYSA-N
MW358.30 g/mol
LogP4.44
Rot. Bonds6

About 3-(2-bromo-5-fluorophenyl)-1-cyclohexyl-1-ethoxypropan-2-amine

3-(2-bromo-5-fluorophenyl)-1-cyclohexyl-1-ethoxypropan-2-amine (PubChem CID 116771947) has the molecular formula C17H25BrFNO and a molecular weight of 358.30 g/mol. Its IUPAC name is 3-(2-bromo-5-fluorophenyl)-1-cyclohexyl-1-ethoxypropan-2-amine.

Molecular Properties

Compound Name3-(2-bromo-5-fluorophenyl)-1-cyclohexyl-1-ethoxypropan-2-amine
PubChem CID116771947
Molecular FormulaC17H25BrFNO
Molecular Weight358.30 g/mol
Exact Mass357.11
IUPAC Name3-(2-bromo-5-fluorophenyl)-1-cyclohexyl-1-ethoxypropan-2-amine
SMILESCCOC(C(N)Cc1cc(F)ccc1Br)C1CCCCC1
InChIInChI=1S/C17H25BrFNO/c1-2-21-17(12-6-4-3-5-7-12)16(20)11-13-10-14(19)8-9-15(13)18/h8-10,12,16-17H,2-7,11,20H2,1H3
InChIKeyCAVCCRJACVUPEL-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-(2-chloro-4-fluorophenyl)-1-cyclohexyl-1-ethoxypropan-2-amine
CID 116772044
3-(2-bromo-5-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-amine
CID 116721854
3-(3-bromo-4-fluorophenyl)-1-cyclohexyl-1-ethoxypropan-2-amine
CID 116772018
2-(2-bromo-5-fluorophenyl)-1-cycloheptyl-N-methylethanamine
CID 65398871
1-(3-bromo-2,6-difluorophenyl)-2-cyclohexyl-2-ethoxyethanol
CID 106942130
3-(2-bromo-4-fluorophenyl)-1,1-diethoxypropan-2-amine
CID 79496447
1-(2-bromo-5-fluorophenyl)-3-methoxypentan-2-amine
CID 116715046
3-(2-bromo-5-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-ol
CID 116712649
1-cyclohexyl-3-(2-fluoro-3-methoxyphenyl)-1-methoxypropan-2-amine
CID 116771238
2-(2-bromo-5-fluorophenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine
CID 63415205
3-(2,5-difluorophenyl)-1,1-diethoxypropan-2-amine
CID 79495766
3-(2-bromo-4-fluorophenyl)-1-cyclopropyl-1-ethoxy-N-methylpropan-2-amine
CID 116723316

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-5-fluorophenyl)-1-cyclohexyl-1-ethoxypropan-2-amine?
The IUPAC name of 3-(2-bromo-5-fluorophenyl)-1-cyclohexyl-1-ethoxypropan-2-amine (CID 116771947) is 3-(2-bromo-5-fluorophenyl)-1-cyclohexyl-1-ethoxypropan-2-amine.
What is the SMILES notation for 3-(2-bromo-5-fluorophenyl)-1-cyclohexyl-1-ethoxypropan-2-amine?
The canonical SMILES for 3-(2-bromo-5-fluorophenyl)-1-cyclohexyl-1-ethoxypropan-2-amine is CCOC(C(N)Cc1cc(F)ccc1Br)C1CCCCC1.
What is the InChIKey of 3-(2-bromo-5-fluorophenyl)-1-cyclohexyl-1-ethoxypropan-2-amine?
The InChIKey is CAVCCRJACVUPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrFNO/c1-2-21-17(12-6-4-3-5-7-12)16(20)11-13-10-14(19)8-9-15(13)18/h8-10,12,16-17H,2-7,11,20H2,1H3.
What are the key properties of 3-(2-bromo-5-fluorophenyl)-1-cyclohexyl-1-ethoxypropan-2-amine?
3-(2-bromo-5-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-(2-bromo-5-fluorophenyl)-1-cyclohexyl-1-ethoxypropan-2-amine is sourced from PubChem (CID 116771947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).