3-methyl-N-(propan-2-yloxymethyl)-4-(1,2,3,6-tetrahydropyridin-4-yl)aniline

C16H24N2O — CID 167190508

IUPAC3-methyl-N-(propan-2-yloxymethyl)-4-(1,2,3,6-tetrahydropyridin-4-yl)aniline
SMILESCc1cc(NCOC(C)C)ccc1C1=CCNCC1
InChIInChI=1S/C16H24N2O/c1-12(2)19-11-18-15-4-5-16(13(3)10-15)14-6-8-17-9-7-14/h4-6,10,12,17-18H,7-9,11H2,1-3H3
InChIKeyLWKRERNOVACATD-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.17
Rot. Bonds5

About 3-methyl-N-(propan-2-yloxymethyl)-4-(1,2,3,6-tetrahydropyridin-4-yl)aniline

3-methyl-N-(propan-2-yloxymethyl)-4-(1,2,3,6-tetrahydropyridin-4-yl)aniline (PubChem CID 167190508) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-methyl-N-(propan-2-yloxymethyl)-4-(1,2,3,6-tetrahydropyridin-4-yl)aniline.

Molecular Properties

Compound Name3-methyl-N-(propan-2-yloxymethyl)-4-(1,2,3,6-tetrahydropyridin-4-yl)aniline
PubChem CID167190508
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3-methyl-N-(propan-2-yloxymethyl)-4-(1,2,3,6-tetrahydropyridin-4-yl)aniline
SMILESCc1cc(NCOC(C)C)ccc1C1=CCNCC1
InChIInChI=1S/C16H24N2O/c1-12(2)19-11-18-15-4-5-16(13(3)10-15)14-6-8-17-9-7-14/h4-6,10,12,17-18H,7-9,11H2,1-3H3
InChIKeyLWKRERNOVACATD-UHFFFAOYSA-N
XLogP3.17
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3-methyl-N-(propan-2-yloxymethyl)-4-(1,2,3,6-tetrahydropyridin-4-yl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(propan-2-yloxymethyl)-4-(1,2,3,6-tetrahydropyridin-4-yl)aniline?
The IUPAC name of 3-methyl-N-(propan-2-yloxymethyl)-4-(1,2,3,6-tetrahydropyridin-4-yl)aniline (CID 167190508) is 3-methyl-N-(propan-2-yloxymethyl)-4-(1,2,3,6-tetrahydropyridin-4-yl)aniline.
What is the SMILES notation for 3-methyl-N-(propan-2-yloxymethyl)-4-(1,2,3,6-tetrahydropyridin-4-yl)aniline?
The canonical SMILES for 3-methyl-N-(propan-2-yloxymethyl)-4-(1,2,3,6-tetrahydropyridin-4-yl)aniline is Cc1cc(NCOC(C)C)ccc1C1=CCNCC1.
What is the InChIKey of 3-methyl-N-(propan-2-yloxymethyl)-4-(1,2,3,6-tetrahydropyridin-4-yl)aniline?
The InChIKey is LWKRERNOVACATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12(2)19-11-18-15-4-5-16(13(3)10-15)14-6-8-17-9-7-14/h4-6,10,12,17-18H,7-9,11H2,1-3H3.
What are the key properties of 3-methyl-N-(propan-2-yloxymethyl)-4-(1,2,3,6-tetrahydropyridin-4-yl)aniline?
3-methyl-N-(propan-2-yloxymethyl)-4-(1,2,3,6-tetrahydropyridin-4-yl)aniline has a molecular weight of 260.38 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(propan-2-yloxymethyl)-4-(1,2,3,6-tetrahydropyridin-4-yl)aniline is sourced from PubChem (CID 167190508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).