2-(diethylamino)ethyl 1-(4-aminophenyl)cyclopentane-1-carboxylate;hydrochloride

C18H29ClN2O2 — CID 45264795

IUPAC2-(diethylamino)ethyl 1-(4-aminophenyl)cyclopentane-1-carboxylate;hydrochloride
SMILESCCN(CC)CCOC(=O)C1(c2ccc(N)cc2)CCCC1.Cl
InChIInChI=1S/C18H28N2O2.ClH/c1-3-20(4-2)13-14-22-17(21)18(11-5-6-12-18)15-7-9-16(19)10-8-15;/h7-10H,3-6,11-14,19H2,1-2H3;1H
InChIKeyIYZFNZSVUFXTFQ-UHFFFAOYSA-N
MW340.90 g/mol
LogP3.39
Rot. Bonds7

About 2-(diethylamino)ethyl 1-(4-aminophenyl)cyclopentane-1-carboxylate;hydrochloride

2-(diethylamino)ethyl 1-(4-aminophenyl)cyclopentane-1-carboxylate;hydrochloride (PubChem CID 45264795) has the molecular formula C18H29ClN2O2 and a molecular weight of 340.90 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 1-(4-aminophenyl)cyclopentane-1-carboxylate;hydrochloride.

Molecular Properties

Compound Name2-(diethylamino)ethyl 1-(4-aminophenyl)cyclopentane-1-carboxylate;hydrochloride
PubChem CID45264795
Molecular FormulaC18H29ClN2O2
Molecular Weight340.90 g/mol
Exact Mass340.19
IUPAC Name2-(diethylamino)ethyl 1-(4-aminophenyl)cyclopentane-1-carboxylate;hydrochloride
SMILESCCN(CC)CCOC(=O)C1(c2ccc(N)cc2)CCCC1.Cl
InChIInChI=1S/C18H28N2O2.ClH/c1-3-20(4-2)13-14-22-17(21)18(11-5-6-12-18)15-7-9-16(19)10-8-15;/h7-10H,3-6,11-14,19H2,1-2H3;1H
InChIKeyIYZFNZSVUFXTFQ-UHFFFAOYSA-N
XLogP3.39
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.90
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Anileridine
CID 8944
4-Piperidinecarboxylic acid, 1-(2-(4-aminophenyl)ethyl)-4-phenyl-, ethyl ester, hydrochloride (1:2)
CID 197194
4-Nitrocaramiphen
CID 3941250
n-Butyl 4-aminophenylacetate
CID 12238924
Nitrocaramiphen hydrochloride
CID 25102587
2-(Diethylamino)ethyl 1-(4-pyrrolidin-1-ylphenyl)cyclopentane-1-carboxylate;hydrochloride
CID 45261250
2-(4-Phenylpiperazin-1-yl)ethyl 1-phenylcyclopentane-1-carboxylate;hydrochloride
CID 45264309
Ethyl 1-(2-(4-aminophenyl)ethyl)-4-phenylpiperidine-4-carboxylate dihydrochloride
CID 31338
Methyl 2-(4-aminophenyl)-2-methylpropanoate
CID 584407
Fluorene-9-carboxylic acid, 2-amino-, 2-(diethylamino)ethyl ester, hydrochloride
CID 45420
3-Methylbutyl (4-aminophenyl)acetate--hydrogen chloride (1/1)
CID 51928
Benzeneacetic acid, 4-amino-alpha-ethyl-alpha-phenyl-, ethyl ester
CID 3046178

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 1-(4-aminophenyl)cyclopentane-1-carboxylate;hydrochloride?
The IUPAC name of 2-(diethylamino)ethyl 1-(4-aminophenyl)cyclopentane-1-carboxylate;hydrochloride (CID 45264795) is 2-(diethylamino)ethyl 1-(4-aminophenyl)cyclopentane-1-carboxylate;hydrochloride.
What is the SMILES notation for 2-(diethylamino)ethyl 1-(4-aminophenyl)cyclopentane-1-carboxylate;hydrochloride?
The canonical SMILES for 2-(diethylamino)ethyl 1-(4-aminophenyl)cyclopentane-1-carboxylate;hydrochloride is CCN(CC)CCOC(=O)C1(c2ccc(N)cc2)CCCC1.Cl.
What is the InChIKey of 2-(diethylamino)ethyl 1-(4-aminophenyl)cyclopentane-1-carboxylate;hydrochloride?
The InChIKey is IYZFNZSVUFXTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2.ClH/c1-3-20(4-2)13-14-22-17(21)18(11-5-6-12-18)15-7-9-16(19)10-8-15;/h7-10H,3-6,11-14,19H2,1-2H3;1H.
What are the key properties of 2-(diethylamino)ethyl 1-(4-aminophenyl)cyclopentane-1-carboxylate;hydrochloride?
2-(diethylamino)ethyl 1-(4-aminophenyl)cyclopentane-1-carboxylate;hydrochloride has a molecular weight of 340.90 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 1-(4-aminophenyl)cyclopentane-1-carboxylate;hydrochloride is sourced from PubChem (CID 45264795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).