1-(3-bromo-4-fluorophenyl)-3-cyclohexylsulfanyl-N-ethylpropan-2-amine

C17H25BrFNS — CID 65143955

IUPAC1-(3-bromo-4-fluorophenyl)-3-cyclohexylsulfanyl-N-ethylpropan-2-amine
SMILESCCNC(CSC1CCCCC1)Cc1ccc(F)c(Br)c1
InChIInChI=1S/C17H25BrFNS/c1-2-20-14(12-21-15-6-4-3-5-7-15)10-13-8-9-17(19)16(18)11-13/h8-9,11,14-15,20H,2-7,10,12H2,1H3
InChIKeyUFHSLCYZSNQVNF-UHFFFAOYSA-N
MW374.36 g/mol
LogP5.17
Rot. Bonds7

About 1-(3-bromo-4-fluorophenyl)-3-cyclohexylsulfanyl-N-ethylpropan-2-amine

1-(3-bromo-4-fluorophenyl)-3-cyclohexylsulfanyl-N-ethylpropan-2-amine (PubChem CID 65143955) has the molecular formula C17H25BrFNS and a molecular weight of 374.36 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-3-cyclohexylsulfanyl-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-3-cyclohexylsulfanyl-N-ethylpropan-2-amine
PubChem CID65143955
Molecular FormulaC17H25BrFNS
Molecular Weight374.36 g/mol
Exact Mass373.09
IUPAC Name1-(3-bromo-4-fluorophenyl)-3-cyclohexylsulfanyl-N-ethylpropan-2-amine
SMILESCCNC(CSC1CCCCC1)Cc1ccc(F)c(Br)c1
InChIInChI=1S/C17H25BrFNS/c1-2-20-14(12-21-15-6-4-3-5-7-15)10-13-8-9-17(19)16(18)11-13/h8-9,11,14-15,20H,2-7,10,12H2,1H3
InChIKeyUFHSLCYZSNQVNF-UHFFFAOYSA-N
XLogP5.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.36
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-3-fluorophenyl)-3-cyclopentylsulfanyl-N-ethylpropan-2-amine
CID 107884779
1-cyclohexylsulfanyl-3-(3,4-dimethylphenyl)-N-ethylpropan-2-amine
CID 65144591
1-(3-bromophenyl)-3-cyclopentylsulfanyl-N-ethylpropan-2-amine
CID 65140515
1-cyclohexylsulfanyl-N-ethyl-3-phenylpropan-2-amine
CID 65144146
1-cyclohexylsulfanyl-3-(2,6-difluorophenyl)-N-ethylpropan-2-amine
CID 114932112
1-cyclopentylsulfanyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine
CID 65139316
1-(3-bromo-4-fluorophenyl)-N-ethyl-4-(oxolan-2-yl)butan-2-amine
CID 115818461
1-cyclopentylsulfanyl-3-(2,3-difluorophenyl)-N-ethylpropan-2-amine
CID 65139211
1-(3-bromo-4-fluorophenyl)-N-ethyl-3-(oxolan-3-yl)propan-2-amine
CID 103987220
[1-(4-chloro-3-fluorophenyl)-3-cyclohexylsulfanylpropan-2-yl]hydrazine
CID 107895084
1-(3-bromo-4-fluorophenyl)-3-(1,1-dioxothiolan-3-yl)-N-ethylpropan-2-amine
CID 105111662
1-(3-bromo-4-fluorophenyl)-N-ethyl-4-methoxypentan-2-amine
CID 113391425

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-3-cyclohexylsulfanyl-N-ethylpropan-2-amine?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-3-cyclohexylsulfanyl-N-ethylpropan-2-amine (CID 65143955) is 1-(3-bromo-4-fluorophenyl)-3-cyclohexylsulfanyl-N-ethylpropan-2-amine.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-3-cyclohexylsulfanyl-N-ethylpropan-2-amine?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-3-cyclohexylsulfanyl-N-ethylpropan-2-amine is CCNC(CSC1CCCCC1)Cc1ccc(F)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-3-cyclohexylsulfanyl-N-ethylpropan-2-amine?
The InChIKey is UFHSLCYZSNQVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrFNS/c1-2-20-14(12-21-15-6-4-3-5-7-15)10-13-8-9-17(19)16(18)11-13/h8-9,11,14-15,20H,2-7,10,12H2,1H3.
What are the key properties of 1-(3-bromo-4-fluorophenyl)-3-cyclohexylsulfanyl-N-ethylpropan-2-amine?
1-(3-bromo-4-fluorophenyl)-3-cyclohexylsulfanyl-N-ethylpropan-2-amine has a molecular weight of 374.36 g/mol, XLogP of 5.17, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-fluorophenyl)-3-cyclohexylsulfanyl-N-ethylpropan-2-amine is sourced from PubChem (CID 65143955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).