4-[2-(dimethylamino)ethoxy]-N-(2-methylcyclohexyl)aniline

C17H28N2O — CID 60943035

IUPAC4-[2-(dimethylamino)ethoxy]-N-(2-methylcyclohexyl)aniline
SMILESCC1CCCCC1Nc1ccc(OCCN(C)C)cc1
InChIInChI=1S/C17H28N2O/c1-14-6-4-5-7-17(14)18-15-8-10-16(11-9-15)20-13-12-19(2)3/h8-11,14,17-18H,4-7,12-13H2,1-3H3
InChIKeyRHLGIZBJSGBCOU-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.62
Rot. Bonds6

About 4-[2-(dimethylamino)ethoxy]-N-(2-methylcyclohexyl)aniline

4-[2-(dimethylamino)ethoxy]-N-(2-methylcyclohexyl)aniline (PubChem CID 60943035) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethoxy]-N-(2-methylcyclohexyl)aniline.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethoxy]-N-(2-methylcyclohexyl)aniline
PubChem CID60943035
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name4-[2-(dimethylamino)ethoxy]-N-(2-methylcyclohexyl)aniline
SMILESCC1CCCCC1Nc1ccc(OCCN(C)C)cc1
InChIInChI=1S/C17H28N2O/c1-14-6-4-5-7-17(14)18-15-8-10-16(11-9-15)20-13-12-19(2)3/h8-11,14,17-18H,4-7,12-13H2,1-3H3
InChIKeyRHLGIZBJSGBCOU-UHFFFAOYSA-N
XLogP3.62
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-[2-(dimethylamino)ethoxy]-N-(2-methylcyclopentyl)aniline
CID 65046094
4-[2-(dimethylamino)ethoxy]-N-(3-methylcyclobutyl)aniline
CID 104860156
2-[4-[(2-methylcyclohexyl)amino]phenoxy]acetonitrile
CID 43203268
N-[4-[2-(dimethylamino)ethoxy]phenyl]thian-4-amine
CID 54863930
4-[4-[2-(dimethylamino)ethoxy]anilino]cyclohexan-1-ol
CID 82539341
4-N-[4-[2-(dimethylamino)ethoxy]phenyl]cyclohexane-1,4-diamine
CID 79731299
4-[2-(dimethylamino)ethoxy]-N-(3-ethylcyclopentyl)aniline
CID 64502151
N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-methylpyrrolidine-2-carboxamide
CID 102778343
4-[(2-methylcyclohexyl)amino]benzonitrile
CID 43178854
N-(2-methylcyclopentyl)-4-(trifluoromethoxy)aniline
CID 65046957
N-[(1S,2S)-2-methylcyclohexyl]-N'-(4-propoxyphenyl)oxamide
CID 124624773
2-N,2-N-dimethyl-5-N-(2-methylcyclohexyl)pyridine-2,5-diamine
CID 43690472

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethoxy]-N-(2-methylcyclohexyl)aniline?
The IUPAC name of 4-[2-(dimethylamino)ethoxy]-N-(2-methylcyclohexyl)aniline (CID 60943035) is 4-[2-(dimethylamino)ethoxy]-N-(2-methylcyclohexyl)aniline.
What is the SMILES notation for 4-[2-(dimethylamino)ethoxy]-N-(2-methylcyclohexyl)aniline?
The canonical SMILES for 4-[2-(dimethylamino)ethoxy]-N-(2-methylcyclohexyl)aniline is CC1CCCCC1Nc1ccc(OCCN(C)C)cc1.
What is the InChIKey of 4-[2-(dimethylamino)ethoxy]-N-(2-methylcyclohexyl)aniline?
The InChIKey is RHLGIZBJSGBCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-14-6-4-5-7-17(14)18-15-8-10-16(11-9-15)20-13-12-19(2)3/h8-11,14,17-18H,4-7,12-13H2,1-3H3.
What are the key properties of 4-[2-(dimethylamino)ethoxy]-N-(2-methylcyclohexyl)aniline?
4-[2-(dimethylamino)ethoxy]-N-(2-methylcyclohexyl)aniline has a molecular weight of 276.42 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethoxy]-N-(2-methylcyclohexyl)aniline is sourced from PubChem (CID 60943035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).