1-(3,4-difluorophenyl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine

C14H21F2NS — CID 82923071

IUPAC1-(3,4-difluorophenyl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine
SMILESCNC(CSCC(C)C)Cc1ccc(F)c(F)c1
InChIInChI=1S/C14H21F2NS/c1-10(2)8-18-9-12(17-3)6-11-4-5-13(15)14(16)7-11/h4-5,7,10,12,17H,6,8-9H2,1-3H3
InChIKeySNGALFJPTUKYEI-UHFFFAOYSA-N
MW273.39 g/mol
LogP3.48
Rot. Bonds7

About 1-(3,4-difluorophenyl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine

1-(3,4-difluorophenyl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine (PubChem CID 82923071) has the molecular formula C14H21F2NS and a molecular weight of 273.39 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine
PubChem CID82923071
Molecular FormulaC14H21F2NS
Molecular Weight273.39 g/mol
Exact Mass273.14
IUPAC Name1-(3,4-difluorophenyl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine
SMILESCNC(CSCC(C)C)Cc1ccc(F)c(F)c1
InChIInChI=1S/C14H21F2NS/c1-10(2)8-18-9-12(17-3)6-11-4-5-13(15)14(16)7-11/h4-5,7,10,12,17H,6,8-9H2,1-3H3
InChIKeySNGALFJPTUKYEI-UHFFFAOYSA-N
XLogP3.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.39
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)sulfanyl-3-(3,4-difluorophenyl)-N-methylpropan-2-amine
CID 82909676
1-(3,4-difluorophenyl)-3-(4-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 82910565
1-(3-chloro-4-fluorophenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine
CID 103040087
1-(4-chloro-3-fluorophenyl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine
CID 107884766
1-(3-methoxyphenyl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135010
1-(3,4-difluorophenyl)-N-methylpent-4-yn-2-amine
CID 114977659
1-(3-chloro-4-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 103039975
1-(3,4-difluorophenyl)-N-propyl-3-propylsulfanylpropan-2-amine
CID 82922146
methyl 4-(3,4-difluorophenyl)-3-(methylamino)butanoate
CID 82351619
1-(3,4-difluorophenyl)-3-propan-2-ylsulfanylpropan-2-ol
CID 82920814
3-[(3,4-difluorophenyl)methyl]-N,4-dimethylpentan-2-amine
CID 82920845
1-(4-chloro-3-fluorophenyl)-3-(3,4-dichlorophenyl)-N-methylpropan-2-amine
CID 107884629

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine?
The IUPAC name of 1-(3,4-difluorophenyl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine (CID 82923071) is 1-(3,4-difluorophenyl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine?
The canonical SMILES for 1-(3,4-difluorophenyl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine is CNC(CSCC(C)C)Cc1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine?
The InChIKey is SNGALFJPTUKYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NS/c1-10(2)8-18-9-12(17-3)6-11-4-5-13(15)14(16)7-11/h4-5,7,10,12,17H,6,8-9H2,1-3H3.
What are the key properties of 1-(3,4-difluorophenyl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine?
1-(3,4-difluorophenyl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine has a molecular weight of 273.39 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine is sourced from PubChem (CID 82923071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).