N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-methylsulfanylcyclohexan-1-amine

C19H28FNOS — CID 75427715

IUPACN-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-methylsulfanylcyclohexan-1-amine
SMILESCSC1CCCCC1NCC1(c2ccc(F)cc2)CCOCC1
InChIInChI=1S/C19H28FNOS/c1-23-18-5-3-2-4-17(18)21-14-19(10-12-22-13-11-19)15-6-8-16(20)9-7-15/h6-9,17-18,21H,2-5,10-14H2,1H3
InChIKeyMUNJNPOELPDDNT-UHFFFAOYSA-N
MW337.50 g/mol
LogP4.14
Rot. Bonds5

About N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-methylsulfanylcyclohexan-1-amine

N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-methylsulfanylcyclohexan-1-amine (PubChem CID 75427715) has the molecular formula C19H28FNOS and a molecular weight of 337.50 g/mol. Its IUPAC name is N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-methylsulfanylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-methylsulfanylcyclohexan-1-amine
PubChem CID75427715
Molecular FormulaC19H28FNOS
Molecular Weight337.50 g/mol
Exact Mass337.19
IUPAC NameN-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-methylsulfanylcyclohexan-1-amine
SMILESCSC1CCCCC1NCC1(c2ccc(F)cc2)CCOCC1
InChIInChI=1S/C19H28FNOS/c1-23-18-5-3-2-4-17(18)21-14-19(10-12-22-13-11-19)15-6-8-16(20)9-7-15/h6-9,17-18,21H,2-5,10-14H2,1H3
InChIKeyMUNJNPOELPDDNT-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.50
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-methylsulfanylcyclohexan-1-amine?
The IUPAC name of N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-methylsulfanylcyclohexan-1-amine (CID 75427715) is N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-methylsulfanylcyclohexan-1-amine.
What is the SMILES notation for N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-methylsulfanylcyclohexan-1-amine?
The canonical SMILES for N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-methylsulfanylcyclohexan-1-amine is CSC1CCCCC1NCC1(c2ccc(F)cc2)CCOCC1.
What is the InChIKey of N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-methylsulfanylcyclohexan-1-amine?
The InChIKey is MUNJNPOELPDDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FNOS/c1-23-18-5-3-2-4-17(18)21-14-19(10-12-22-13-11-19)15-6-8-16(20)9-7-15/h6-9,17-18,21H,2-5,10-14H2,1H3.
What are the key properties of N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-methylsulfanylcyclohexan-1-amine?
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-methylsulfanylcyclohexan-1-amine has a molecular weight of 337.50 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-methylsulfanylcyclohexan-1-amine is sourced from PubChem (CID 75427715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).