2-(3,4-difluorophenyl)sulfanyl-N-ethyl-1-phenylpropan-1-amine

C17H19F2NS — CID 64612846

IUPAC2-(3,4-difluorophenyl)sulfanyl-N-ethyl-1-phenylpropan-1-amine
SMILESCCNC(c1ccccc1)C(C)Sc1ccc(F)c(F)c1
InChIInChI=1S/C17H19F2NS/c1-3-20-17(13-7-5-4-6-8-13)12(2)21-14-9-10-15(18)16(19)11-14/h4-12,17,20H,3H2,1-2H3
InChIKeyMPRUFZPWAOZRSS-UHFFFAOYSA-N
MW307.41 g/mol
LogP4.80
Rot. Bonds6

About 2-(3,4-difluorophenyl)sulfanyl-N-ethyl-1-phenylpropan-1-amine

2-(3,4-difluorophenyl)sulfanyl-N-ethyl-1-phenylpropan-1-amine (PubChem CID 64612846) has the molecular formula C17H19F2NS and a molecular weight of 307.41 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)sulfanyl-N-ethyl-1-phenylpropan-1-amine.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)sulfanyl-N-ethyl-1-phenylpropan-1-amine
PubChem CID64612846
Molecular FormulaC17H19F2NS
Molecular Weight307.41 g/mol
Exact Mass307.12
IUPAC Name2-(3,4-difluorophenyl)sulfanyl-N-ethyl-1-phenylpropan-1-amine
SMILESCCNC(c1ccccc1)C(C)Sc1ccc(F)c(F)c1
InChIInChI=1S/C17H19F2NS/c1-3-20-17(13-7-5-4-6-8-13)12(2)21-14-9-10-15(18)16(19)11-14/h4-12,17,20H,3H2,1-2H3
InChIKeyMPRUFZPWAOZRSS-UHFFFAOYSA-N
XLogP4.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)sulfanyl-N-ethyl-1-phenylpropan-1-amine
CID 64634165
N-ethyl-2-ethylsulfanyl-1-phenylpropan-1-amine
CID 64612976
2-(3,4-difluorophenyl)sulfanyl-N-methyl-1-(4-methylphenyl)propan-1-amine
CID 64612638
N-ethyl-1-phenyl-2-pyrimidin-2-ylsulfanylpropan-1-amine
CID 64648445
1-(3,4-difluorophenyl)sulfanyl-N-ethylpropan-2-amine
CID 64613894
2-(3,4-difluorophenyl)sulfanyl-1-phenylbutan-1-amine
CID 64615581
2-(3,4-difluorophenyl)sulfanylpentan-3-amine
CID 64614302
1-(3,4-difluorophenyl)-N-ethyl-2-methoxy-2-phenylethanamine
CID 116773143
2-(4-bromophenyl)sulfanyl-N-ethyl-1-(4-methylphenyl)propan-1-amine
CID 64614946
2-(3-chlorophenyl)sulfanyl-N-ethyl-1-phenylbutan-1-amine
CID 64632520
2-(3,4-difluorophenyl)sulfanyl-N-propan-2-ylpropan-1-amine
CID 62576763
N-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylpropan-1-amine
CID 64649007

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-N-ethyl-1-phenylpropan-1-amine?
The IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-N-ethyl-1-phenylpropan-1-amine (CID 64612846) is 2-(3,4-difluorophenyl)sulfanyl-N-ethyl-1-phenylpropan-1-amine.
What is the SMILES notation for 2-(3,4-difluorophenyl)sulfanyl-N-ethyl-1-phenylpropan-1-amine?
The canonical SMILES for 2-(3,4-difluorophenyl)sulfanyl-N-ethyl-1-phenylpropan-1-amine is CCNC(c1ccccc1)C(C)Sc1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)sulfanyl-N-ethyl-1-phenylpropan-1-amine?
The InChIKey is MPRUFZPWAOZRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NS/c1-3-20-17(13-7-5-4-6-8-13)12(2)21-14-9-10-15(18)16(19)11-14/h4-12,17,20H,3H2,1-2H3.
What are the key properties of 2-(3,4-difluorophenyl)sulfanyl-N-ethyl-1-phenylpropan-1-amine?
2-(3,4-difluorophenyl)sulfanyl-N-ethyl-1-phenylpropan-1-amine has a molecular weight of 307.41 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)sulfanyl-N-ethyl-1-phenylpropan-1-amine is sourced from PubChem (CID 64612846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).