4-[2-(dimethylamino)ethoxy]-N-(3-ethylcyclopentyl)aniline

C17H28N2O — CID 64502151

IUPAC4-[2-(dimethylamino)ethoxy]-N-(3-ethylcyclopentyl)aniline
SMILESCCC1CCC(Nc2ccc(OCCN(C)C)cc2)C1
InChIInChI=1S/C17H28N2O/c1-4-14-5-6-16(13-14)18-15-7-9-17(10-8-15)20-12-11-19(2)3/h7-10,14,16,18H,4-6,11-13H2,1-3H3
InChIKeyUXTCSNYSCAGNHM-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.62
Rot. Bonds7

About 4-[2-(dimethylamino)ethoxy]-N-(3-ethylcyclopentyl)aniline

4-[2-(dimethylamino)ethoxy]-N-(3-ethylcyclopentyl)aniline (PubChem CID 64502151) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethoxy]-N-(3-ethylcyclopentyl)aniline.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethoxy]-N-(3-ethylcyclopentyl)aniline
PubChem CID64502151
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name4-[2-(dimethylamino)ethoxy]-N-(3-ethylcyclopentyl)aniline
SMILESCCC1CCC(Nc2ccc(OCCN(C)C)cc2)C1
InChIInChI=1S/C17H28N2O/c1-4-14-5-6-16(13-14)18-15-7-9-17(10-8-15)20-12-11-19(2)3/h7-10,14,16,18H,4-6,11-13H2,1-3H3
InChIKeyUXTCSNYSCAGNHM-UHFFFAOYSA-N
XLogP3.62
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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-N-[4-[2-(dimethylamino)ethoxy]phenyl]cyclohexane-1,4-diamine
CID 79731299
4-[2-(dimethylamino)ethoxy]-N-(3-methylcyclobutyl)aniline
CID 104860156
4-[4-[2-(dimethylamino)ethoxy]anilino]cyclohexan-1-ol
CID 82539341
N-[4-[2-(dimethylamino)ethoxy]phenyl]thian-4-amine
CID 54863930
N-(3-ethylcyclopentyl)-3-propoxyaniline
CID 64501066
4-[2-(dimethylamino)ethoxy]-N-(2-methylcyclopentyl)aniline
CID 65046094
4-[2-(dimethylamino)ethoxy]-N-(2-methylcyclohexyl)aniline
CID 60943035
N-(3,4-dimethylcyclohexyl)-4-propoxyaniline
CID 64745627
1-N-[3-[2-(dimethylamino)ethoxy]phenyl]cyclobutane-1,3-diamine
CID 80559817
N-(3-ethylcyclopentyl)-3-iodo-4-methylaniline
CID 64502521
3-(cyclopropylamino)-N-[4-[2-(dimethylamino)ethoxy]phenyl]propanamide
CID 60928327
4-(4-propoxyanilino)cyclohexan-1-ol
CID 106594574

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethoxy]-N-(3-ethylcyclopentyl)aniline?
The IUPAC name of 4-[2-(dimethylamino)ethoxy]-N-(3-ethylcyclopentyl)aniline (CID 64502151) is 4-[2-(dimethylamino)ethoxy]-N-(3-ethylcyclopentyl)aniline.
What is the SMILES notation for 4-[2-(dimethylamino)ethoxy]-N-(3-ethylcyclopentyl)aniline?
The canonical SMILES for 4-[2-(dimethylamino)ethoxy]-N-(3-ethylcyclopentyl)aniline is CCC1CCC(Nc2ccc(OCCN(C)C)cc2)C1.
What is the InChIKey of 4-[2-(dimethylamino)ethoxy]-N-(3-ethylcyclopentyl)aniline?
The InChIKey is UXTCSNYSCAGNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-14-5-6-16(13-14)18-15-7-9-17(10-8-15)20-12-11-19(2)3/h7-10,14,16,18H,4-6,11-13H2,1-3H3.
What are the key properties of 4-[2-(dimethylamino)ethoxy]-N-(3-ethylcyclopentyl)aniline?
4-[2-(dimethylamino)ethoxy]-N-(3-ethylcyclopentyl)aniline has a molecular weight of 276.42 g/mol, XLogP of 3.62, 7 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-(3-ethylcyclopentyl)aniline is sourced from PubChem (CID 64502151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).