5-[(dimethylamino)methyl]-2-methoxy-N-(3-methylcyclohexyl)aniline

C17H28N2O — CID 43686520

IUPAC5-[(dimethylamino)methyl]-2-methoxy-N-(3-methylcyclohexyl)aniline
SMILESCOc1ccc(CN(C)C)cc1NC1CCCC(C)C1
InChIInChI=1S/C17H28N2O/c1-13-6-5-7-15(10-13)18-16-11-14(12-19(2)3)8-9-17(16)20-4/h8-9,11,13,15,18H,5-7,10,12H2,1-4H3
InChIKeyBHSJVDBRQYUIBZ-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.75
Rot. Bonds5

About 5-[(dimethylamino)methyl]-2-methoxy-N-(3-methylcyclohexyl)aniline

5-[(dimethylamino)methyl]-2-methoxy-N-(3-methylcyclohexyl)aniline (PubChem CID 43686520) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-2-methoxy-N-(3-methylcyclohexyl)aniline.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-2-methoxy-N-(3-methylcyclohexyl)aniline
PubChem CID43686520
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name5-[(dimethylamino)methyl]-2-methoxy-N-(3-methylcyclohexyl)aniline
SMILESCOc1ccc(CN(C)C)cc1NC1CCCC(C)C1
InChIInChI=1S/C17H28N2O/c1-13-6-5-7-15(10-13)18-16-11-14(12-19(2)3)8-9-17(16)20-4/h8-9,11,13,15,18H,5-7,10,12H2,1-4H3
InChIKeyBHSJVDBRQYUIBZ-UHFFFAOYSA-N
XLogP3.75
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[(dimethylamino)methyl]-2-methoxy-N-(3-methylcyclohexyl)aniline with MolForge

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

Launch Full Analysis

Related Compounds

5-[(dimethylamino)methyl]-2-methoxy-N-(3-methylcyclopentyl)aniline
CID 64501060
1-N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]cyclohexane-1,3-diamine
CID 79458843
2-methoxy-N-(3-methylcyclohexyl)-5-phenylaniline
CID 2847498
4-chloro-2,5-dimethoxy-N-(3-methylcyclohexyl)aniline
CID 43096450
N-cyclobutyl-5-[(dimethylamino)methyl]-2-methylaniline
CID 115885128
4,5-dimethoxy-2-methyl-N-(3-methylcyclohexyl)aniline
CID 43716735
5-[(dimethylamino)methyl]-2-methoxy-N-propan-2-ylaniline
CID 43686566
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylcyclohexan-1-amine
CID 2846430
2-methoxy-5-[[methyl-(3-methylcyclohexyl)amino]methyl]aniline
CID 61443699
5-chloro-N-(3-methylcyclohexyl)-2-propoxyaniline
CID 63452896
5-[(dimethylamino)methyl]-N-(2,2-dimethylpropyl)-2-methoxyaniline
CID 61324530
2-methoxy-N-[(1R,3S)-3-methylcyclopentyl]aniline
CID 95376142

Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-2-methoxy-N-(3-methylcyclohexyl)aniline?
The IUPAC name of 5-[(dimethylamino)methyl]-2-methoxy-N-(3-methylcyclohexyl)aniline (CID 43686520) is 5-[(dimethylamino)methyl]-2-methoxy-N-(3-methylcyclohexyl)aniline.
What is the SMILES notation for 5-[(dimethylamino)methyl]-2-methoxy-N-(3-methylcyclohexyl)aniline?
The canonical SMILES for 5-[(dimethylamino)methyl]-2-methoxy-N-(3-methylcyclohexyl)aniline is COc1ccc(CN(C)C)cc1NC1CCCC(C)C1.
What is the InChIKey of 5-[(dimethylamino)methyl]-2-methoxy-N-(3-methylcyclohexyl)aniline?
The InChIKey is BHSJVDBRQYUIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13-6-5-7-15(10-13)18-16-11-14(12-19(2)3)8-9-17(16)20-4/h8-9,11,13,15,18H,5-7,10,12H2,1-4H3.
What are the key properties of 5-[(dimethylamino)methyl]-2-methoxy-N-(3-methylcyclohexyl)aniline?
5-[(dimethylamino)methyl]-2-methoxy-N-(3-methylcyclohexyl)aniline has a molecular weight of 276.42 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-2-methoxy-N-(3-methylcyclohexyl)aniline is sourced from PubChem (CID 43686520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).