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

C15H21F2NOS — CID 64717172

IUPAC3-(2,4-difluorophenyl)sulfinyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCC(S(=O)c2ccc(F)cc2F)C1
InChIInChI=1S/C15H21F2NOS/c1-2-8-18-12-4-3-5-13(10-12)20(19)15-7-6-11(16)9-14(15)17/h6-7,9,12-13,18H,2-5,8,10H2,1H3
InChIKeyLTFJANMZTDJVOJ-UHFFFAOYSA-N
MW301.40 g/mol
LogP3.38
Rot. Bonds5

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

3-(2,4-difluorophenyl)sulfinyl-N-propylcyclohexan-1-amine (PubChem CID 64717172) has the molecular formula C15H21F2NOS and a molecular weight of 301.40 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)sulfinyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)sulfinyl-N-propylcyclohexan-1-amine
PubChem CID64717172
Molecular FormulaC15H21F2NOS
Molecular Weight301.40 g/mol
Exact Mass301.13
IUPAC Name3-(2,4-difluorophenyl)sulfinyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCC(S(=O)c2ccc(F)cc2F)C1
InChIInChI=1S/C15H21F2NOS/c1-2-8-18-12-4-3-5-13(10-12)20(19)15-7-6-11(16)9-14(15)17/h6-7,9,12-13,18H,2-5,8,10H2,1H3
InChIKeyLTFJANMZTDJVOJ-UHFFFAOYSA-N
XLogP3.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,4-difluorophenyl)sulfinyl-N-ethylcyclohexan-1-amine
CID 64717560
3-(2,5-dimethylphenyl)sulfinyl-N-propylcyclohexan-1-amine
CID 64716954
2-(2,4-difluorophenyl)sulfinyl-N-propylcycloheptan-1-amine
CID 64651180
3-[(4-chlorophenyl)methylsulfinyl]-N-propylcyclohexan-1-amine
CID 114792146
3-(2,4-difluorophenyl)sulfinyl-N-propyloxan-4-amine
CID 64653449
3-(3-chloro-4-fluorophenyl)sulfinyl-N-propylcyclopentan-1-amine
CID 115477274
3-(2,5-dichlorophenyl)sulfinyl-N-ethylcyclohexan-1-amine
CID 64716958
2-(2,5-difluorophenyl)sulfinyl-N-propylcyclohexan-1-amine
CID 64652067
2-[2-(2,5-difluorophenyl)sulfinylethyl]-N-propylcyclopentan-1-amine
CID 79587610
3-[(5-fluoro-2-methylphenyl)methyl]-N-propylcycloheptan-1-amine
CID 105375525
4-(3-ethylcyclohexyl)sulfinyl-3-fluoroaniline
CID 81191814
3-(3-fluoro-4-methylphenoxy)-N-propylcyclohexan-1-amine
CID 107169056

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)sulfinyl-N-propylcyclohexan-1-amine?
The IUPAC name of 3-(2,4-difluorophenyl)sulfinyl-N-propylcyclohexan-1-amine (CID 64717172) is 3-(2,4-difluorophenyl)sulfinyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 3-(2,4-difluorophenyl)sulfinyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 3-(2,4-difluorophenyl)sulfinyl-N-propylcyclohexan-1-amine is CCCNC1CCCC(S(=O)c2ccc(F)cc2F)C1.
What is the InChIKey of 3-(2,4-difluorophenyl)sulfinyl-N-propylcyclohexan-1-amine?
The InChIKey is LTFJANMZTDJVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NOS/c1-2-8-18-12-4-3-5-13(10-12)20(19)15-7-6-11(16)9-14(15)17/h6-7,9,12-13,18H,2-5,8,10H2,1H3.
What are the key properties of 3-(2,4-difluorophenyl)sulfinyl-N-propylcyclohexan-1-amine?
3-(2,4-difluorophenyl)sulfinyl-N-propylcyclohexan-1-amine has a molecular weight of 301.40 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)sulfinyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 64717172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).