3-N-(4-ethoxy-3-methoxyphenyl)cyclopentane-1,3-diamine

C14H22N2O2 — CID 79461999

IUPAC3-N-(4-ethoxy-3-methoxyphenyl)cyclopentane-1,3-diamine
SMILESCCOc1ccc(NC2CCC(N)C2)cc1OC
InChIInChI=1S/C14H22N2O2/c1-3-18-13-7-6-12(9-14(13)17-2)16-11-5-4-10(15)8-11/h6-7,9-11,16H,3-5,8,15H2,1-2H3
InChIKeyBZRLUKADWYDMDM-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.39
Rot. Bonds5

About 3-N-(4-ethoxy-3-methoxyphenyl)cyclopentane-1,3-diamine

3-N-(4-ethoxy-3-methoxyphenyl)cyclopentane-1,3-diamine (PubChem CID 79461999) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-N-(4-ethoxy-3-methoxyphenyl)cyclopentane-1,3-diamine.

Molecular Properties

Compound Name3-N-(4-ethoxy-3-methoxyphenyl)cyclopentane-1,3-diamine
PubChem CID79461999
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-N-(4-ethoxy-3-methoxyphenyl)cyclopentane-1,3-diamine
SMILESCCOc1ccc(NC2CCC(N)C2)cc1OC
InChIInChI=1S/C14H22N2O2/c1-3-18-13-7-6-12(9-14(13)17-2)16-11-5-4-10(15)8-11/h6-7,9-11,16H,3-5,8,15H2,1-2H3
InChIKeyBZRLUKADWYDMDM-UHFFFAOYSA-N
XLogP2.39
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-3-ethoxy-4-methoxyaniline
CID 43729865
4-(3-ethoxy-4-methoxyanilino)cyclohexan-1-ol
CID 106594039
3-ethoxy-4-methoxy-N-(3-methylcyclobutyl)aniline
CID 104860047
4-N-[(4-ethoxy-3-methoxyphenyl)methyl]cyclohexane-1,4-diamine
CID 62314200
N-(4-ethoxy-3-methoxyphenyl)-2-methyloxolan-3-amine
CID 82726780
N-[4-[(3-aminocyclohexyl)amino]-2-methoxyphenyl]acetamide
CID 79458739
4-N-(4-fluoro-3-methoxyphenyl)cyclohexane-1,4-diamine
CID 114838536
N-(3-ethoxy-4-methoxyphenyl)-5-methylthiolan-3-amine
CID 79941817
4-ethoxy-3-methoxy-N-methylaniline
CID 63089329
N-(3-ethoxy-4-methoxyphenyl)-1-methylazepan-4-amine
CID 65070278
N-(3-ethoxy-4-methoxyphenyl)-2,2-dimethyl-1,3-dioxan-5-amine
CID 106658448
4-(3,4-dimethoxyanilino)cyclohexan-1-ol
CID 82539356

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-ethoxy-3-methoxyphenyl)cyclopentane-1,3-diamine?
The IUPAC name of 3-N-(4-ethoxy-3-methoxyphenyl)cyclopentane-1,3-diamine (CID 79461999) is 3-N-(4-ethoxy-3-methoxyphenyl)cyclopentane-1,3-diamine.
What is the SMILES notation for 3-N-(4-ethoxy-3-methoxyphenyl)cyclopentane-1,3-diamine?
The canonical SMILES for 3-N-(4-ethoxy-3-methoxyphenyl)cyclopentane-1,3-diamine is CCOc1ccc(NC2CCC(N)C2)cc1OC.
What is the InChIKey of 3-N-(4-ethoxy-3-methoxyphenyl)cyclopentane-1,3-diamine?
The InChIKey is BZRLUKADWYDMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-18-13-7-6-12(9-14(13)17-2)16-11-5-4-10(15)8-11/h6-7,9-11,16H,3-5,8,15H2,1-2H3.
What are the key properties of 3-N-(4-ethoxy-3-methoxyphenyl)cyclopentane-1,3-diamine?
3-N-(4-ethoxy-3-methoxyphenyl)cyclopentane-1,3-diamine has a molecular weight of 250.34 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-ethoxy-3-methoxyphenyl)cyclopentane-1,3-diamine is sourced from PubChem (CID 79461999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).