1-[3,5-difluoro-4-(4-methylcyclohexyl)oxyphenyl]-N-methylmethanamine

C15H21F2NO — CID 79892077

IUPAC1-[3,5-difluoro-4-(4-methylcyclohexyl)oxyphenyl]-N-methylmethanamine
SMILESCNCc1cc(F)c(OC2CCC(C)CC2)c(F)c1
InChIInChI=1S/C15H21F2NO/c1-10-3-5-12(6-4-10)19-15-13(16)7-11(9-18-2)8-14(15)17/h7-8,10,12,18H,3-6,9H2,1-2H3
InChIKeyMYKHJAHTVPWOMQ-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.64
Rot. Bonds4

About 1-[3,5-difluoro-4-(4-methylcyclohexyl)oxyphenyl]-N-methylmethanamine

1-[3,5-difluoro-4-(4-methylcyclohexyl)oxyphenyl]-N-methylmethanamine (PubChem CID 79892077) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is 1-[3,5-difluoro-4-(4-methylcyclohexyl)oxyphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3,5-difluoro-4-(4-methylcyclohexyl)oxyphenyl]-N-methylmethanamine
PubChem CID79892077
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC Name1-[3,5-difluoro-4-(4-methylcyclohexyl)oxyphenyl]-N-methylmethanamine
SMILESCNCc1cc(F)c(OC2CCC(C)CC2)c(F)c1
InChIInChI=1S/C15H21F2NO/c1-10-3-5-12(6-4-10)19-15-13(16)7-11(9-18-2)8-14(15)17/h7-8,10,12,18H,3-6,9H2,1-2H3
InChIKeyMYKHJAHTVPWOMQ-UHFFFAOYSA-N
XLogP3.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3,5-difluoro-4-(4-methylcyclohexyl)oxyphenyl]-N-methylmethanamine?
The IUPAC name of 1-[3,5-difluoro-4-(4-methylcyclohexyl)oxyphenyl]-N-methylmethanamine (CID 79892077) is 1-[3,5-difluoro-4-(4-methylcyclohexyl)oxyphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3,5-difluoro-4-(4-methylcyclohexyl)oxyphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3,5-difluoro-4-(4-methylcyclohexyl)oxyphenyl]-N-methylmethanamine is CNCc1cc(F)c(OC2CCC(C)CC2)c(F)c1.
What is the InChIKey of 1-[3,5-difluoro-4-(4-methylcyclohexyl)oxyphenyl]-N-methylmethanamine?
The InChIKey is MYKHJAHTVPWOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-10-3-5-12(6-4-10)19-15-13(16)7-11(9-18-2)8-14(15)17/h7-8,10,12,18H,3-6,9H2,1-2H3.
What are the key properties of 1-[3,5-difluoro-4-(4-methylcyclohexyl)oxyphenyl]-N-methylmethanamine?
1-[3,5-difluoro-4-(4-methylcyclohexyl)oxyphenyl]-N-methylmethanamine has a molecular weight of 269.33 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-difluoro-4-(4-methylcyclohexyl)oxyphenyl]-N-methylmethanamine is sourced from PubChem (CID 79892077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).