2-(3-chloro-4-fluorophenyl)sulfinyl-4-methyl-N-propylcyclohexan-1-amine

C16H23ClFNOS — CID 115477286

IUPAC2-(3-chloro-4-fluorophenyl)sulfinyl-4-methyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C)CC1S(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C16H23ClFNOS/c1-3-8-19-15-7-4-11(2)9-16(15)21(20)12-5-6-14(18)13(17)10-12/h5-6,10-11,15-16,19H,3-4,7-9H2,1-2H3
InChIKeyOOKYHSDTXOLXIF-UHFFFAOYSA-N
MW331.88 g/mol
LogP4.14
Rot. Bonds5

About 2-(3-chloro-4-fluorophenyl)sulfinyl-4-methyl-N-propylcyclohexan-1-amine

2-(3-chloro-4-fluorophenyl)sulfinyl-4-methyl-N-propylcyclohexan-1-amine (PubChem CID 115477286) has the molecular formula C16H23ClFNOS and a molecular weight of 331.88 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)sulfinyl-4-methyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)sulfinyl-4-methyl-N-propylcyclohexan-1-amine
PubChem CID115477286
Molecular FormulaC16H23ClFNOS
Molecular Weight331.88 g/mol
Exact Mass331.12
IUPAC Name2-(3-chloro-4-fluorophenyl)sulfinyl-4-methyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C)CC1S(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C16H23ClFNOS/c1-3-8-19-15-7-4-11(2)9-16(15)21(20)12-5-6-14(18)13(17)10-12/h5-6,10-11,15-16,19H,3-4,7-9H2,1-2H3
InChIKeyOOKYHSDTXOLXIF-UHFFFAOYSA-N
XLogP4.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.88
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chloro-4-fluorophenyl)sulfinyl-2-methyl-N-propylcyclopentan-1-amine
CID 115477312
3-(3-chloro-4-fluorophenyl)sulfinyl-N-propylcyclopentan-1-amine
CID 115477274
4-ethyl-2-(4-fluorophenyl)sulfinyl-N-propylcyclohexan-1-amine
CID 64657308
2-(2,5-dichlorophenyl)sulfanyl-4-methyl-N-propylcyclohexan-1-amine
CID 64620847
3-(2,5-dichlorophenyl)sulfinyl-N-propyloxan-4-amine
CID 64657339
3-(3-chlorophenyl)sulfinyl-N-propyloxan-4-amine
CID 64658377
2-(3,4-difluorophenyl)sulfinyl-4-methylcyclohexan-1-amine
CID 64653867
5-(3,4-dichlorophenyl)sulfinyl-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 79866348
2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-propylcyclopentan-1-amine
CID 64651573
2-(2,5-difluorophenyl)sulfinyl-N-propylcyclohexan-1-amine
CID 64652067
2-(3-chlorophenyl)sulfinyl-4,4-dimethyl-N-propylcyclohexan-1-amine
CID 64660130
2-(3-chloro-4-fluorophenyl)sulfonyl-N-propylcyclohexan-1-amine
CID 64674143

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)sulfinyl-4-methyl-N-propylcyclohexan-1-amine?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)sulfinyl-4-methyl-N-propylcyclohexan-1-amine (CID 115477286) is 2-(3-chloro-4-fluorophenyl)sulfinyl-4-methyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)sulfinyl-4-methyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)sulfinyl-4-methyl-N-propylcyclohexan-1-amine is CCCNC1CCC(C)CC1S(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)sulfinyl-4-methyl-N-propylcyclohexan-1-amine?
The InChIKey is OOKYHSDTXOLXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClFNOS/c1-3-8-19-15-7-4-11(2)9-16(15)21(20)12-5-6-14(18)13(17)10-12/h5-6,10-11,15-16,19H,3-4,7-9H2,1-2H3.
What are the key properties of 2-(3-chloro-4-fluorophenyl)sulfinyl-4-methyl-N-propylcyclohexan-1-amine?
2-(3-chloro-4-fluorophenyl)sulfinyl-4-methyl-N-propylcyclohexan-1-amine has a molecular weight of 331.88 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)sulfinyl-4-methyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 115477286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).