1-(2,5-difluorophenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine

C15H23F2NS — CID 65135476

IUPAC1-(2,5-difluorophenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine
SMILESCCNC(CSCC(C)C)Cc1cc(F)ccc1F
InChIInChI=1S/C15H23F2NS/c1-4-18-14(10-19-9-11(2)3)8-12-7-13(16)5-6-15(12)17/h5-7,11,14,18H,4,8-10H2,1-3H3
InChIKeyBWPDNAABACMGCP-UHFFFAOYSA-N
MW287.42 g/mol
LogP3.87
Rot. Bonds8

About 1-(2,5-difluorophenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine

1-(2,5-difluorophenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine (PubChem CID 65135476) has the molecular formula C15H23F2NS and a molecular weight of 287.42 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine
PubChem CID65135476
Molecular FormulaC15H23F2NS
Molecular Weight287.42 g/mol
Exact Mass287.15
IUPAC Name1-(2,5-difluorophenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine
SMILESCCNC(CSCC(C)C)Cc1cc(F)ccc1F
InChIInChI=1S/C15H23F2NS/c1-4-18-14(10-19-9-11(2)3)8-12-7-13(16)5-6-15(12)17/h5-7,11,14,18H,4,8-10H2,1-3H3
InChIKeyBWPDNAABACMGCP-UHFFFAOYSA-N
XLogP3.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.42
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2,5-difluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-yl]hydrazine
CID 105226723
N-ethyl-1-(3-fluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135077
1-(2-chloro-3-fluorophenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine
CID 112653767
1-(3-chloro-4-fluorophenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine
CID 103040087
N-ethyl-1-ethylsulfanyl-3-(4-fluoro-2-methylphenyl)propan-2-amine
CID 114347936
1-(5-chloro-2-fluorophenyl)-N-ethyl-3-methylsulfanylpropan-2-amine
CID 103048614
N-ethyl-1-(2-methoxy-5-methylphenyl)-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135698
1-(2,5-difluorophenyl)-N-ethyl-3,4-dimethylpentan-2-amine
CID 115810544
1-(2-chloro-5-fluorophenyl)-N-ethyl-4-methylpentan-2-amine
CID 102618580
1-(2,5-difluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 62553243
1-(2,4-difluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine
CID 62196900
1-(4-chloro-2-fluorophenyl)-N-ethyl-3-methylsulfanylpropan-2-amine
CID 114855538

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine?
The IUPAC name of 1-(2,5-difluorophenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine (CID 65135476) is 1-(2,5-difluorophenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine?
The canonical SMILES for 1-(2,5-difluorophenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine is CCNC(CSCC(C)C)Cc1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine?
The InChIKey is BWPDNAABACMGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2NS/c1-4-18-14(10-19-9-11(2)3)8-12-7-13(16)5-6-15(12)17/h5-7,11,14,18H,4,8-10H2,1-3H3.
What are the key properties of 1-(2,5-difluorophenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine?
1-(2,5-difluorophenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine has a molecular weight of 287.42 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine is sourced from PubChem (CID 65135476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).