1-(5-bromo-2-fluorophenyl)-N-ethyl-3-methylsulfanylpropan-2-amine

C12H17BrFNS — CID 62691747

IUPAC1-(5-bromo-2-fluorophenyl)-N-ethyl-3-methylsulfanylpropan-2-amine
SMILESCCNC(CSC)Cc1cc(Br)ccc1F
InChIInChI=1S/C12H17BrFNS/c1-3-15-11(8-16-2)7-9-6-10(13)4-5-12(9)14/h4-6,11,15H,3,7-8H2,1-2H3
InChIKeyOJNFXHUQAJRBDD-UHFFFAOYSA-N
MW306.24 g/mol
LogP3.47
Rot. Bonds6

About 1-(5-bromo-2-fluorophenyl)-N-ethyl-3-methylsulfanylpropan-2-amine

1-(5-bromo-2-fluorophenyl)-N-ethyl-3-methylsulfanylpropan-2-amine (PubChem CID 62691747) has the molecular formula C12H17BrFNS and a molecular weight of 306.24 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-N-ethyl-3-methylsulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-N-ethyl-3-methylsulfanylpropan-2-amine
PubChem CID62691747
Molecular FormulaC12H17BrFNS
Molecular Weight306.24 g/mol
Exact Mass305.02
IUPAC Name1-(5-bromo-2-fluorophenyl)-N-ethyl-3-methylsulfanylpropan-2-amine
SMILESCCNC(CSC)Cc1cc(Br)ccc1F
InChIInChI=1S/C12H17BrFNS/c1-3-15-11(8-16-2)7-9-6-10(13)4-5-12(9)14/h4-6,11,15H,3,7-8H2,1-2H3
InChIKeyOJNFXHUQAJRBDD-UHFFFAOYSA-N
XLogP3.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(3-Bromo-phenyl)-1-methyl-ethyl]-(3-phenyl-propyl)-amine
CID 15061897
1-(4-Bromophenyl)-2-(ethylamino)-2-methylpropyl hydrodisulfide
CID 313361
1-(3-Bromo-4-fluorophenyl)propan-2-amine
CID 20116958
1-(3-Bromo-2-fluorophenyl)propan-2-amine
CID 83712557
(1S)-1-(4-bromophenyl)-1-(disulfanyl)-N-ethyl-2-methylpropan-2-amine
CID 3246573
1-(3-bromophenyl)-N-methylpropan-2-amine
CID 60818893
1-(5-Bromo-2-fluorophenyl)propan-2-amine
CID 20114667
[(5-Bromo-2-fluorophenyl)methyl](propan-2-yl)amine
CID 20116629
(1-(2,4-Difluorophenyl)-3-(ethylsulfanyl)propan-2-yl)(ethyl)amine
CID 65127846
(1-(4-Fluorophenyl)-3-(methylsulfanyl)propan-2-yl)(methyl)amine hydrochloride
CID 137964270
(1-(2,4-Difluorophenyl)-3-(methylsulfanyl)propan-2-yl)(ethyl)amine hydrochloride
CID 154577036
(1-(2,4-Difluorophenyl)-3-(ethylsulfanyl)propan-2-yl)(ethyl)amine hydrochloride
CID 154577219

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-N-ethyl-3-methylsulfanylpropan-2-amine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-N-ethyl-3-methylsulfanylpropan-2-amine (CID 62691747) is 1-(5-bromo-2-fluorophenyl)-N-ethyl-3-methylsulfanylpropan-2-amine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-N-ethyl-3-methylsulfanylpropan-2-amine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-N-ethyl-3-methylsulfanylpropan-2-amine is CCNC(CSC)Cc1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-N-ethyl-3-methylsulfanylpropan-2-amine?
The InChIKey is OJNFXHUQAJRBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrFNS/c1-3-15-11(8-16-2)7-9-6-10(13)4-5-12(9)14/h4-6,11,15H,3,7-8H2,1-2H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-N-ethyl-3-methylsulfanylpropan-2-amine?
1-(5-bromo-2-fluorophenyl)-N-ethyl-3-methylsulfanylpropan-2-amine has a molecular weight of 306.24 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-N-ethyl-3-methylsulfanylpropan-2-amine is sourced from PubChem (CID 62691747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).