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

C16H26N2O — CID 65046094

IUPAC4-[2-(dimethylamino)ethoxy]-N-(2-methylcyclopentyl)aniline
SMILESCC1CCCC1Nc1ccc(OCCN(C)C)cc1
InChIInChI=1S/C16H26N2O/c1-13-5-4-6-16(13)17-14-7-9-15(10-8-14)19-12-11-18(2)3/h7-10,13,16-17H,4-6,11-12H2,1-3H3
InChIKeyDJIOOZQZTGXGJI-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.23
Rot. Bonds6

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

4-[2-(dimethylamino)ethoxy]-N-(2-methylcyclopentyl)aniline (PubChem CID 65046094) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethoxy]-N-(2-methylcyclopentyl)aniline.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethoxy]-N-(2-methylcyclopentyl)aniline
PubChem CID65046094
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name4-[2-(dimethylamino)ethoxy]-N-(2-methylcyclopentyl)aniline
SMILESCC1CCCC1Nc1ccc(OCCN(C)C)cc1
InChIInChI=1S/C16H26N2O/c1-13-5-4-6-16(13)17-14-7-9-15(10-8-14)19-12-11-18(2)3/h7-10,13,16-17H,4-6,11-12H2,1-3H3
InChIKeyDJIOOZQZTGXGJI-UHFFFAOYSA-N
XLogP3.23
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.23
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-methylcyclohexyl)aniline
CID 60943035
4-[2-(dimethylamino)ethoxy]-N-(3-methylcyclobutyl)aniline
CID 104860156
2-[4-[(2-methylcyclohexyl)amino]phenoxy]acetonitrile
CID 43203268
4-[4-[2-(dimethylamino)ethoxy]anilino]cyclohexan-1-ol
CID 82539341
N-[4-[2-(dimethylamino)ethoxy]phenyl]thian-4-amine
CID 54863930
4-N-[4-[2-(dimethylamino)ethoxy]phenyl]cyclohexane-1,4-diamine
CID 79731299
4-[2-(dimethylamino)ethoxy]-N-(3-ethylcyclopentyl)aniline
CID 64502151
4-fluoro-N-[(1R,2S)-2-methylcyclopentyl]aniline
CID 96923123
N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-methylpyrrolidine-2-carboxamide
CID 102778343
N-(2-methylcyclopentyl)pyridin-4-amine
CID 63281266
N-[(1S,2S)-2-methylcyclohexyl]-N'-(4-propoxyphenyl)oxamide
CID 124624773
2-methyl-N-[(4-propoxyphenyl)methyl]cyclopentan-1-amine
CID 63277985

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethoxy]-N-(2-methylcyclopentyl)aniline?
The IUPAC name of 4-[2-(dimethylamino)ethoxy]-N-(2-methylcyclopentyl)aniline (CID 65046094) is 4-[2-(dimethylamino)ethoxy]-N-(2-methylcyclopentyl)aniline.
What is the SMILES notation for 4-[2-(dimethylamino)ethoxy]-N-(2-methylcyclopentyl)aniline?
The canonical SMILES for 4-[2-(dimethylamino)ethoxy]-N-(2-methylcyclopentyl)aniline is CC1CCCC1Nc1ccc(OCCN(C)C)cc1.
What is the InChIKey of 4-[2-(dimethylamino)ethoxy]-N-(2-methylcyclopentyl)aniline?
The InChIKey is DJIOOZQZTGXGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13-5-4-6-16(13)17-14-7-9-15(10-8-14)19-12-11-18(2)3/h7-10,13,16-17H,4-6,11-12H2,1-3H3.
What are the key properties of 4-[2-(dimethylamino)ethoxy]-N-(2-methylcyclopentyl)aniline?
4-[2-(dimethylamino)ethoxy]-N-(2-methylcyclopentyl)aniline has a molecular weight of 262.40 g/mol, XLogP of 3.23, 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-methylcyclopentyl)aniline is sourced from PubChem (CID 65046094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).