1-[2-(4-cyclopropyloxyphenyl)-4-ethylcyclohexyl]-N-methylmethanamine

C19H29NO — CID 114520506

IUPAC1-[2-(4-cyclopropyloxyphenyl)-4-ethylcyclohexyl]-N-methylmethanamine
SMILESCCC1CCC(CNC)C(c2ccc(OC3CC3)cc2)C1
InChIInChI=1S/C19H29NO/c1-3-14-4-5-16(13-20-2)19(12-14)15-6-8-17(9-7-15)21-18-10-11-18/h6-9,14,16,18-20H,3-5,10-13H2,1-2H3
InChIKeyCFTUVRYQXJPRQG-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.36
Rot. Bonds6

About 1-[2-(4-cyclopropyloxyphenyl)-4-ethylcyclohexyl]-N-methylmethanamine

1-[2-(4-cyclopropyloxyphenyl)-4-ethylcyclohexyl]-N-methylmethanamine (PubChem CID 114520506) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-[2-(4-cyclopropyloxyphenyl)-4-ethylcyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(4-cyclopropyloxyphenyl)-4-ethylcyclohexyl]-N-methylmethanamine
PubChem CID114520506
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name1-[2-(4-cyclopropyloxyphenyl)-4-ethylcyclohexyl]-N-methylmethanamine
SMILESCCC1CCC(CNC)C(c2ccc(OC3CC3)cc2)C1
InChIInChI=1S/C19H29NO/c1-3-14-4-5-16(13-20-2)19(12-14)15-6-8-17(9-7-15)21-18-10-11-18/h6-9,14,16,18-20H,3-5,10-13H2,1-2H3
InChIKeyCFTUVRYQXJPRQG-UHFFFAOYSA-N
XLogP4.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-cyclopropyloxyphenyl)-4-ethylcyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(4-cyclopropyloxyphenyl)-4-ethylcyclohexyl]-N-methylmethanamine (CID 114520506) is 1-[2-(4-cyclopropyloxyphenyl)-4-ethylcyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(4-cyclopropyloxyphenyl)-4-ethylcyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(4-cyclopropyloxyphenyl)-4-ethylcyclohexyl]-N-methylmethanamine is CCC1CCC(CNC)C(c2ccc(OC3CC3)cc2)C1.
What is the InChIKey of 1-[2-(4-cyclopropyloxyphenyl)-4-ethylcyclohexyl]-N-methylmethanamine?
The InChIKey is CFTUVRYQXJPRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-3-14-4-5-16(13-20-2)19(12-14)15-6-8-17(9-7-15)21-18-10-11-18/h6-9,14,16,18-20H,3-5,10-13H2,1-2H3.
What are the key properties of 1-[2-(4-cyclopropyloxyphenyl)-4-ethylcyclohexyl]-N-methylmethanamine?
1-[2-(4-cyclopropyloxyphenyl)-4-ethylcyclohexyl]-N-methylmethanamine has a molecular weight of 287.45 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-cyclopropyloxyphenyl)-4-ethylcyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 114520506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).