4-N-cyclopentyl-2-ethoxy-4-N-methylbenzene-1,4-diamine

C14H22N2O — CID 63669956

IUPAC4-N-cyclopentyl-2-ethoxy-4-N-methylbenzene-1,4-diamine
SMILESCCOc1cc(N(C)C2CCCC2)ccc1N
InChIInChI=1S/C14H22N2O/c1-3-17-14-10-12(8-9-13(14)15)16(2)11-6-4-5-7-11/h8-11H,3-7,15H2,1-2H3
InChIKeyGETDMBDEMZAPQA-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.05
Rot. Bonds4

About 4-N-cyclopentyl-2-ethoxy-4-N-methylbenzene-1,4-diamine

4-N-cyclopentyl-2-ethoxy-4-N-methylbenzene-1,4-diamine (PubChem CID 63669956) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-N-cyclopentyl-2-ethoxy-4-N-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-cyclopentyl-2-ethoxy-4-N-methylbenzene-1,4-diamine
PubChem CID63669956
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-N-cyclopentyl-2-ethoxy-4-N-methylbenzene-1,4-diamine
SMILESCCOc1cc(N(C)C2CCCC2)ccc1N
InChIInChI=1S/C14H22N2O/c1-3-17-14-10-12(8-9-13(14)15)16(2)11-6-4-5-7-11/h8-11H,3-7,15H2,1-2H3
InChIKeyGETDMBDEMZAPQA-UHFFFAOYSA-N
XLogP3.05
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-N-cyclopentyl-4-N-methyl-2-propan-2-yloxybenzene-1,4-diamine
CID 83002795
4-N-(3,3-dimethylbutan-2-yl)-2-ethoxy-4-N-methylbenzene-1,4-diamine
CID 63677519
2-(4-amino-N-cyclopropyl-3-ethoxyanilino)ethanol
CID 63675494
4-N-cyclopentyl-4-N,2-dimethylbenzene-1,4-diamine
CID 43436341
3-(4-amino-3-ethoxy-N-methylanilino)butanenitrile
CID 55232164
2-ethoxy-4-N-methyl-4-N-(oxan-4-ylmethyl)benzene-1,4-diamine
CID 63725265
2-ethoxy-4-N,4-N-bis(2-methylpropyl)benzene-1,4-diamine
CID 63670487
4-cyclobutyloxy-2-ethoxyaniline
CID 63677607
4-N-(4-ethylcyclohexyl)-4-N-methyl-2-propan-2-yloxybenzene-1,4-diamine
CID 83004693
ethyl 2-amino-5-[cyclohexyl(methyl)amino]benzoate
CID 61305640
4-(cyclopentylmethoxy)-2-ethoxyaniline
CID 66324490
2-(4-amino-N-cyclopentyl-3-propoxyanilino)ethanol
CID 63676661

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopentyl-2-ethoxy-4-N-methylbenzene-1,4-diamine?
The IUPAC name of 4-N-cyclopentyl-2-ethoxy-4-N-methylbenzene-1,4-diamine (CID 63669956) is 4-N-cyclopentyl-2-ethoxy-4-N-methylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-cyclopentyl-2-ethoxy-4-N-methylbenzene-1,4-diamine?
The canonical SMILES for 4-N-cyclopentyl-2-ethoxy-4-N-methylbenzene-1,4-diamine is CCOc1cc(N(C)C2CCCC2)ccc1N.
What is the InChIKey of 4-N-cyclopentyl-2-ethoxy-4-N-methylbenzene-1,4-diamine?
The InChIKey is GETDMBDEMZAPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-17-14-10-12(8-9-13(14)15)16(2)11-6-4-5-7-11/h8-11H,3-7,15H2,1-2H3.
What are the key properties of 4-N-cyclopentyl-2-ethoxy-4-N-methylbenzene-1,4-diamine?
4-N-cyclopentyl-2-ethoxy-4-N-methylbenzene-1,4-diamine has a molecular weight of 234.34 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopentyl-2-ethoxy-4-N-methylbenzene-1,4-diamine is sourced from PubChem (CID 63669956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).