1-[2-(2-methoxyphenyl)-4-propylcyclohexyl]-N-methylmethanamine

C18H29NO — CID 81029380

IUPAC1-[2-(2-methoxyphenyl)-4-propylcyclohexyl]-N-methylmethanamine
SMILESCCCC1CCC(CNC)C(c2ccccc2OC)C1
InChIInChI=1S/C18H29NO/c1-4-7-14-10-11-15(13-19-2)17(12-14)16-8-5-6-9-18(16)20-3/h5-6,8-9,14-15,17,19H,4,7,10-13H2,1-3H3
InChIKeyAGYBKWFRIUKQOO-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.21
Rot. Bonds6

About 1-[2-(2-methoxyphenyl)-4-propylcyclohexyl]-N-methylmethanamine

1-[2-(2-methoxyphenyl)-4-propylcyclohexyl]-N-methylmethanamine (PubChem CID 81029380) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenyl)-4-propylcyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(2-methoxyphenyl)-4-propylcyclohexyl]-N-methylmethanamine
PubChem CID81029380
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-[2-(2-methoxyphenyl)-4-propylcyclohexyl]-N-methylmethanamine
SMILESCCCC1CCC(CNC)C(c2ccccc2OC)C1
InChIInChI=1S/C18H29NO/c1-4-7-14-10-11-15(13-19-2)17(12-14)16-8-5-6-9-18(16)20-3/h5-6,8-9,14-15,17,19H,4,7,10-13H2,1-3H3
InChIKeyAGYBKWFRIUKQOO-UHFFFAOYSA-N
XLogP4.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenyl)-4-propylcyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(2-methoxyphenyl)-4-propylcyclohexyl]-N-methylmethanamine (CID 81029380) is 1-[2-(2-methoxyphenyl)-4-propylcyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(2-methoxyphenyl)-4-propylcyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(2-methoxyphenyl)-4-propylcyclohexyl]-N-methylmethanamine is CCCC1CCC(CNC)C(c2ccccc2OC)C1.
What is the InChIKey of 1-[2-(2-methoxyphenyl)-4-propylcyclohexyl]-N-methylmethanamine?
The InChIKey is AGYBKWFRIUKQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-7-14-10-11-15(13-19-2)17(12-14)16-8-5-6-9-18(16)20-3/h5-6,8-9,14-15,17,19H,4,7,10-13H2,1-3H3.
What are the key properties of 1-[2-(2-methoxyphenyl)-4-propylcyclohexyl]-N-methylmethanamine?
1-[2-(2-methoxyphenyl)-4-propylcyclohexyl]-N-methylmethanamine has a molecular weight of 275.44 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenyl)-4-propylcyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 81029380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).