1-[4-(4-ethylcyclohexyl)oxy-3,5-difluorophenyl]-N-methylmethanamine

C16H23F2NO — CID 79892159

IUPAC1-[4-(4-ethylcyclohexyl)oxy-3,5-difluorophenyl]-N-methylmethanamine
SMILESCCC1CCC(Oc2c(F)cc(CNC)cc2F)CC1
InChIInChI=1S/C16H23F2NO/c1-3-11-4-6-13(7-5-11)20-16-14(17)8-12(10-19-2)9-15(16)18/h8-9,11,13,19H,3-7,10H2,1-2H3
InChIKeyRCTVVSQEIOVMQB-UHFFFAOYSA-N
MW283.36 g/mol
LogP4.03
Rot. Bonds5

About 1-[4-(4-ethylcyclohexyl)oxy-3,5-difluorophenyl]-N-methylmethanamine

1-[4-(4-ethylcyclohexyl)oxy-3,5-difluorophenyl]-N-methylmethanamine (PubChem CID 79892159) has the molecular formula C16H23F2NO and a molecular weight of 283.36 g/mol. Its IUPAC name is 1-[4-(4-ethylcyclohexyl)oxy-3,5-difluorophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(4-ethylcyclohexyl)oxy-3,5-difluorophenyl]-N-methylmethanamine
PubChem CID79892159
Molecular FormulaC16H23F2NO
Molecular Weight283.36 g/mol
Exact Mass283.17
IUPAC Name1-[4-(4-ethylcyclohexyl)oxy-3,5-difluorophenyl]-N-methylmethanamine
SMILESCCC1CCC(Oc2c(F)cc(CNC)cc2F)CC1
InChIInChI=1S/C16H23F2NO/c1-3-11-4-6-13(7-5-11)20-16-14(17)8-12(10-19-2)9-15(16)18/h8-9,11,13,19H,3-7,10H2,1-2H3
InChIKeyRCTVVSQEIOVMQB-UHFFFAOYSA-N
XLogP4.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethylcyclohexyl)oxy-3,5-difluorophenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(4-ethylcyclohexyl)oxy-3,5-difluorophenyl]-N-methylmethanamine (CID 79892159) is 1-[4-(4-ethylcyclohexyl)oxy-3,5-difluorophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(4-ethylcyclohexyl)oxy-3,5-difluorophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(4-ethylcyclohexyl)oxy-3,5-difluorophenyl]-N-methylmethanamine is CCC1CCC(Oc2c(F)cc(CNC)cc2F)CC1.
What is the InChIKey of 1-[4-(4-ethylcyclohexyl)oxy-3,5-difluorophenyl]-N-methylmethanamine?
The InChIKey is RCTVVSQEIOVMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO/c1-3-11-4-6-13(7-5-11)20-16-14(17)8-12(10-19-2)9-15(16)18/h8-9,11,13,19H,3-7,10H2,1-2H3.
What are the key properties of 1-[4-(4-ethylcyclohexyl)oxy-3,5-difluorophenyl]-N-methylmethanamine?
1-[4-(4-ethylcyclohexyl)oxy-3,5-difluorophenyl]-N-methylmethanamine has a molecular weight of 283.36 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethylcyclohexyl)oxy-3,5-difluorophenyl]-N-methylmethanamine is sourced from PubChem (CID 79892159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).