3-methyl-2-[2-(methylamino)cyclohexyl]oxybenzonitrile

Name: 3-methyl-2-[2-(methylamino)cyclohexyl]oxybenzonitrile — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₅H₂₀N₂O — CID 107111770

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC3-methyl-2-[2-(methylamino)cyclohexyl]oxybenzonitrile

SMILESCNC1CCCCC1Oc1c(C)cccc1C#N

InChIInChI=1S/C15H20N2O/c1-11-6-5-7-12(10-16)15(11)18-14-9-4-3-8-13(14)17-2/h5-7,13-14,17H,3-4,8-9H2,1-2H3

InChIKeyHGWKSZACEJFNCH-UHFFFAOYSA-N

MW244.34 g/mol

LogP2.78

Rot. Bonds3

About 3-methyl-2-[2-(methylamino)cyclohexyl]oxybenzonitrile

3-methyl-2-[2-(methylamino)cyclohexyl]oxybenzonitrile (PubChem CID 107111770) has the molecular formula C₁₅H₂₀N₂O and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-methyl-2-[2-(methylamino)cyclohexyl]oxybenzonitrile.

Molecular Properties

Compound Name	3-methyl-2-[2-(methylamino)cyclohexyl]oxybenzonitrile
PubChem CID	107111770
Molecular Formula	C₁₅H₂₀N₂O
Molecular Weight	244.34 g/mol
Exact Mass	244.16
IUPAC Name	3-methyl-2-[2-(methylamino)cyclohexyl]oxybenzonitrile
SMILES	CNC1CCCCC1Oc1c(C)cccc1C#N
InChI	InChI=1S/C15H20N2O/c1-11-6-5-7-12(10-16)15(11)18-14-9-4-3-8-13(14)17-2/h5-7,13-14,17H,3-4,8-9H2,1-2H3
InChIKey	HGWKSZACEJFNCH-UHFFFAOYSA-N
XLogP	2.78
TPSA	45.05 Å²
H-Bond Donors	1
H-Bond Acceptors	3
Rotatable Bonds	3
Heavy Atoms	18
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	244.34
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[2-(methylamino)cyclohexyl]oxybenzonitrile?

The IUPAC name of 3-methyl-2-[2-(methylamino)cyclohexyl]oxybenzonitrile (CID 107111770) is 3-methyl-2-[2-(methylamino)cyclohexyl]oxybenzonitrile.

What is the SMILES notation for 3-methyl-2-[2-(methylamino)cyclohexyl]oxybenzonitrile?

The canonical SMILES for 3-methyl-2-[2-(methylamino)cyclohexyl]oxybenzonitrile is CNC1CCCCC1Oc1c(C)cccc1C#N.

What is the InChIKey of 3-methyl-2-[2-(methylamino)cyclohexyl]oxybenzonitrile?

The InChIKey is HGWKSZACEJFNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11-6-5-7-12(10-16)15(11)18-14-9-4-3-8-13(14)17-2/h5-7,13-14,17H,3-4,8-9H2,1-2H3.

What are the key properties of 3-methyl-2-[2-(methylamino)cyclohexyl]oxybenzonitrile?

3-methyl-2-[2-(methylamino)cyclohexyl]oxybenzonitrile has a molecular weight of 244.34 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-2-[2-(methylamino)cyclohexyl]oxybenzonitrile is sourced from PubChem (CID 107111770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 107111770 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.