1-[2-(5-fluoro-2-methoxyphenyl)-4-methylcyclohexyl]-N-methylmethanamine

C16H24FNO — CID 82782631

IUPAC1-[2-(5-fluoro-2-methoxyphenyl)-4-methylcyclohexyl]-N-methylmethanamine
SMILESCNCC1CCC(C)CC1c1cc(F)ccc1OC
InChIInChI=1S/C16H24FNO/c1-11-4-5-12(10-18-2)14(8-11)15-9-13(17)6-7-16(15)19-3/h6-7,9,11-12,14,18H,4-5,8,10H2,1-3H3
InChIKeySKMRSFHJVJQALP-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.57
Rot. Bonds4

About 1-[2-(5-fluoro-2-methoxyphenyl)-4-methylcyclohexyl]-N-methylmethanamine

1-[2-(5-fluoro-2-methoxyphenyl)-4-methylcyclohexyl]-N-methylmethanamine (PubChem CID 82782631) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 1-[2-(5-fluoro-2-methoxyphenyl)-4-methylcyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(5-fluoro-2-methoxyphenyl)-4-methylcyclohexyl]-N-methylmethanamine
PubChem CID82782631
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name1-[2-(5-fluoro-2-methoxyphenyl)-4-methylcyclohexyl]-N-methylmethanamine
SMILESCNCC1CCC(C)CC1c1cc(F)ccc1OC
InChIInChI=1S/C16H24FNO/c1-11-4-5-12(10-18-2)14(8-11)15-9-13(17)6-7-16(15)19-3/h6-7,9,11-12,14,18H,4-5,8,10H2,1-3H3
InChIKeySKMRSFHJVJQALP-UHFFFAOYSA-N
XLogP3.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-fluoro-2-methoxyphenyl)-4-methylcyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(5-fluoro-2-methoxyphenyl)-4-methylcyclohexyl]-N-methylmethanamine (CID 82782631) is 1-[2-(5-fluoro-2-methoxyphenyl)-4-methylcyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(5-fluoro-2-methoxyphenyl)-4-methylcyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(5-fluoro-2-methoxyphenyl)-4-methylcyclohexyl]-N-methylmethanamine is CNCC1CCC(C)CC1c1cc(F)ccc1OC.
What is the InChIKey of 1-[2-(5-fluoro-2-methoxyphenyl)-4-methylcyclohexyl]-N-methylmethanamine?
The InChIKey is SKMRSFHJVJQALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-11-4-5-12(10-18-2)14(8-11)15-9-13(17)6-7-16(15)19-3/h6-7,9,11-12,14,18H,4-5,8,10H2,1-3H3.
What are the key properties of 1-[2-(5-fluoro-2-methoxyphenyl)-4-methylcyclohexyl]-N-methylmethanamine?
1-[2-(5-fluoro-2-methoxyphenyl)-4-methylcyclohexyl]-N-methylmethanamine has a molecular weight of 265.37 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-fluoro-2-methoxyphenyl)-4-methylcyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 82782631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).