1-(3,4-difluorophenyl)sulfinyl-3,3-dimethyl-N-propylbutan-2-amine

C15H23F2NOS — CID 64650987

IUPAC1-(3,4-difluorophenyl)sulfinyl-3,3-dimethyl-N-propylbutan-2-amine
SMILESCCCNC(CS(=O)c1ccc(F)c(F)c1)C(C)(C)C
InChIInChI=1S/C15H23F2NOS/c1-5-8-18-14(15(2,3)4)10-20(19)11-6-7-12(16)13(17)9-11/h6-7,9,14,18H,5,8,10H2,1-4H3
InChIKeyYVIZJSWTLVNMMP-UHFFFAOYSA-N
MW303.42 g/mol
LogP3.49
Rot. Bonds6

About 1-(3,4-difluorophenyl)sulfinyl-3,3-dimethyl-N-propylbutan-2-amine

1-(3,4-difluorophenyl)sulfinyl-3,3-dimethyl-N-propylbutan-2-amine (PubChem CID 64650987) has the molecular formula C15H23F2NOS and a molecular weight of 303.42 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)sulfinyl-3,3-dimethyl-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)sulfinyl-3,3-dimethyl-N-propylbutan-2-amine
PubChem CID64650987
Molecular FormulaC15H23F2NOS
Molecular Weight303.42 g/mol
Exact Mass303.15
IUPAC Name1-(3,4-difluorophenyl)sulfinyl-3,3-dimethyl-N-propylbutan-2-amine
SMILESCCCNC(CS(=O)c1ccc(F)c(F)c1)C(C)(C)C
InChIInChI=1S/C15H23F2NOS/c1-5-8-18-14(15(2,3)4)10-20(19)11-6-7-12(16)13(17)9-11/h6-7,9,14,18H,5,8,10H2,1-4H3
InChIKeyYVIZJSWTLVNMMP-UHFFFAOYSA-N
XLogP3.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.42
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-difluorophenyl)sulfinyl-N,3,3-trimethylbutan-2-amine
CID 64652845
4-(3,4-difluorophenyl)sulfinyl-3-(propylamino)butan-1-ol
CID 64897808
3,3-dimethyl-1-(4-nitrophenyl)sulfinyl-N-propylbutan-2-amine
CID 64651859
1-(4-chlorophenyl)sulfinyl-N-ethyl-3,3-dimethylbutan-2-amine
CID 64658251
1-(3-chlorophenyl)sulfinyl-N-ethyl-3,3-dimethylbutan-2-amine
CID 64658378
3,3-dimethyl-1-(2-methylphenyl)sulfinyl-N-propylbutan-2-amine
CID 64655569
1-(2,6-dichlorophenyl)sulfinyl-3,3-dimethyl-N-propylbutan-2-amine
CID 115477659
1-(3-chloro-4-fluorophenyl)sulfinyl-3-(propylamino)propan-2-ol
CID 115477531
N-ethyl-1-(4-methoxyphenyl)sulfinyl-3,3-dimethylbutan-2-amine
CID 64659694
1-(4-chlorophenyl)sulfinyl-N-propylbutan-2-amine
CID 64660006
N-ethyl-1-(3-methoxyphenyl)sulfinyl-3,3-dimethylbutan-2-amine
CID 64659700
N-ethyl-3,3-dimethyl-1-(4-methylsulfonylphenyl)sulfinylbutan-2-amine
CID 64656477

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)sulfinyl-3,3-dimethyl-N-propylbutan-2-amine?
The IUPAC name of 1-(3,4-difluorophenyl)sulfinyl-3,3-dimethyl-N-propylbutan-2-amine (CID 64650987) is 1-(3,4-difluorophenyl)sulfinyl-3,3-dimethyl-N-propylbutan-2-amine.
What is the SMILES notation for 1-(3,4-difluorophenyl)sulfinyl-3,3-dimethyl-N-propylbutan-2-amine?
The canonical SMILES for 1-(3,4-difluorophenyl)sulfinyl-3,3-dimethyl-N-propylbutan-2-amine is CCCNC(CS(=O)c1ccc(F)c(F)c1)C(C)(C)C.
What is the InChIKey of 1-(3,4-difluorophenyl)sulfinyl-3,3-dimethyl-N-propylbutan-2-amine?
The InChIKey is YVIZJSWTLVNMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2NOS/c1-5-8-18-14(15(2,3)4)10-20(19)11-6-7-12(16)13(17)9-11/h6-7,9,14,18H,5,8,10H2,1-4H3.
What are the key properties of 1-(3,4-difluorophenyl)sulfinyl-3,3-dimethyl-N-propylbutan-2-amine?
1-(3,4-difluorophenyl)sulfinyl-3,3-dimethyl-N-propylbutan-2-amine has a molecular weight of 303.42 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)sulfinyl-3,3-dimethyl-N-propylbutan-2-amine is sourced from PubChem (CID 64650987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).