1-[2-(2-fluoro-5-methylphenyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine

C18H28FN — CID 81029181

IUPAC1-[2-(2-fluoro-5-methylphenyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine
SMILESCNCC1CCC(C(C)C)CC1c1cc(C)ccc1F
InChIInChI=1S/C18H28FN/c1-12(2)14-6-7-15(11-20-4)16(10-14)17-9-13(3)5-8-18(17)19/h5,8-9,12,14-16,20H,6-7,10-11H2,1-4H3
InChIKeyUGCFRTKWASXMOM-UHFFFAOYSA-N
MW277.43 g/mol
LogP4.51
Rot. Bonds4

About 1-[2-(2-fluoro-5-methylphenyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine

1-[2-(2-fluoro-5-methylphenyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine (PubChem CID 81029181) has the molecular formula C18H28FN and a molecular weight of 277.43 g/mol. Its IUPAC name is 1-[2-(2-fluoro-5-methylphenyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(2-fluoro-5-methylphenyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine
PubChem CID81029181
Molecular FormulaC18H28FN
Molecular Weight277.43 g/mol
Exact Mass277.22
IUPAC Name1-[2-(2-fluoro-5-methylphenyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine
SMILESCNCC1CCC(C(C)C)CC1c1cc(C)ccc1F
InChIInChI=1S/C18H28FN/c1-12(2)14-6-7-15(11-20-4)16(10-14)17-9-13(3)5-8-18(17)19/h5,8-9,12,14-16,20H,6-7,10-11H2,1-4H3
InChIKeyUGCFRTKWASXMOM-UHFFFAOYSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluoro-5-methylphenyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(2-fluoro-5-methylphenyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine (CID 81029181) is 1-[2-(2-fluoro-5-methylphenyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(2-fluoro-5-methylphenyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(2-fluoro-5-methylphenyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine is CNCC1CCC(C(C)C)CC1c1cc(C)ccc1F.
What is the InChIKey of 1-[2-(2-fluoro-5-methylphenyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine?
The InChIKey is UGCFRTKWASXMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN/c1-12(2)14-6-7-15(11-20-4)16(10-14)17-9-13(3)5-8-18(17)19/h5,8-9,12,14-16,20H,6-7,10-11H2,1-4H3.
What are the key properties of 1-[2-(2-fluoro-5-methylphenyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine?
1-[2-(2-fluoro-5-methylphenyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine has a molecular weight of 277.43 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluoro-5-methylphenyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 81029181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).