1-(3-bromo-4-fluorophenyl)-3-cyclohexyl-N-ethylpropan-1-amine

C17H25BrFN — CID 79746697

IUPAC1-(3-bromo-4-fluorophenyl)-3-cyclohexyl-N-ethylpropan-1-amine
SMILESCCNC(CCC1CCCCC1)c1ccc(F)c(Br)c1
InChIInChI=1S/C17H25BrFN/c1-2-20-17(11-8-13-6-4-3-5-7-13)14-9-10-16(19)15(18)12-14/h9-10,12-13,17,20H,2-8,11H2,1H3
InChIKeyVFQFMAGZWWPKQL-UHFFFAOYSA-N
MW342.30 g/mol
LogP5.60
Rot. Bonds6

About 1-(3-bromo-4-fluorophenyl)-3-cyclohexyl-N-ethylpropan-1-amine

1-(3-bromo-4-fluorophenyl)-3-cyclohexyl-N-ethylpropan-1-amine (PubChem CID 79746697) has the molecular formula C17H25BrFN and a molecular weight of 342.30 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-3-cyclohexyl-N-ethylpropan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-3-cyclohexyl-N-ethylpropan-1-amine
PubChem CID79746697
Molecular FormulaC17H25BrFN
Molecular Weight342.30 g/mol
Exact Mass341.12
IUPAC Name1-(3-bromo-4-fluorophenyl)-3-cyclohexyl-N-ethylpropan-1-amine
SMILESCCNC(CCC1CCCCC1)c1ccc(F)c(Br)c1
InChIInChI=1S/C17H25BrFN/c1-2-20-17(11-8-13-6-4-3-5-7-13)14-9-10-16(19)15(18)12-14/h9-10,12-13,17,20H,2-8,11H2,1H3
InChIKeyVFQFMAGZWWPKQL-UHFFFAOYSA-N
XLogP5.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.30
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-4-fluorophenyl)-3-cyclopentyl-N-propylpropan-1-amine
CID 79747612
1-(3-chlorophenyl)-3-cyclohexyl-N-ethylpropan-1-amine
CID 115811982
N-[(3-bromo-4-fluorophenyl)-cyclohexylmethyl]ethanamine
CID 79747514
1-[4-bromo-3-(trifluoromethyl)phenyl]-3-cyclopropyl-N-ethylpropan-1-amine
CID 104995067
1-(4-chloro-2-fluorophenyl)-3-cyclopentyl-N-ethylpropan-1-amine
CID 105022589
1-(3-bromo-4-fluorophenyl)-N-ethylheptan-1-amine
CID 82810387
1-(3-bromo-4-fluorophenyl)-N-(cyclohexylmethyl)ethanamine
CID 43775644
3-cyclopropyl-N-ethyl-1-(3-fluoro-4-methoxyphenyl)propan-1-amine
CID 104995042
1-(4-bromo-2,5-difluorophenyl)-2-cycloheptyl-N-ethylethanamine
CID 114457690
1-(3-bromo-4-fluorophenyl)-N-ethyl-3-methylsulfonylpropan-1-amine
CID 82810385
3-cyclopentyl-1-(3,5-dimethylphenyl)-N-ethylpropan-1-amine
CID 115796908
3-cyclopentyl-N-ethyl-1-(2-fluoro-4-methoxyphenyl)propan-1-amine
CID 43561458

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-3-cyclohexyl-N-ethylpropan-1-amine?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-3-cyclohexyl-N-ethylpropan-1-amine (CID 79746697) is 1-(3-bromo-4-fluorophenyl)-3-cyclohexyl-N-ethylpropan-1-amine.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-3-cyclohexyl-N-ethylpropan-1-amine?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-3-cyclohexyl-N-ethylpropan-1-amine is CCNC(CCC1CCCCC1)c1ccc(F)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-3-cyclohexyl-N-ethylpropan-1-amine?
The InChIKey is VFQFMAGZWWPKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrFN/c1-2-20-17(11-8-13-6-4-3-5-7-13)14-9-10-16(19)15(18)12-14/h9-10,12-13,17,20H,2-8,11H2,1H3.
What are the key properties of 1-(3-bromo-4-fluorophenyl)-3-cyclohexyl-N-ethylpropan-1-amine?
1-(3-bromo-4-fluorophenyl)-3-cyclohexyl-N-ethylpropan-1-amine has a molecular weight of 342.30 g/mol, XLogP of 5.60, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-fluorophenyl)-3-cyclohexyl-N-ethylpropan-1-amine is sourced from PubChem (CID 79746697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).