3-[4-[2-(cyclopentylmethoxy)ethoxy]phenyl]prop-2-yn-1-amine

C17H23NO2 — CID 66322876

IUPAC3-[4-[2-(cyclopentylmethoxy)ethoxy]phenyl]prop-2-yn-1-amine
SMILESNCC#Cc1ccc(OCCOCC2CCCC2)cc1
InChIInChI=1S/C17H23NO2/c18-11-3-6-15-7-9-17(10-8-15)20-13-12-19-14-16-4-1-2-5-16/h7-10,16H,1-2,4-5,11-14,18H2
InChIKeyNVBMVPRYYGQIFY-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.58
Rot. Bonds6

About 3-[4-[2-(cyclopentylmethoxy)ethoxy]phenyl]prop-2-yn-1-amine

3-[4-[2-(cyclopentylmethoxy)ethoxy]phenyl]prop-2-yn-1-amine (PubChem CID 66322876) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-[4-[2-(cyclopentylmethoxy)ethoxy]phenyl]prop-2-yn-1-amine.

Molecular Properties

Compound Name3-[4-[2-(cyclopentylmethoxy)ethoxy]phenyl]prop-2-yn-1-amine
PubChem CID66322876
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name3-[4-[2-(cyclopentylmethoxy)ethoxy]phenyl]prop-2-yn-1-amine
SMILESNCC#Cc1ccc(OCCOCC2CCCC2)cc1
InChIInChI=1S/C17H23NO2/c18-11-3-6-15-7-9-17(10-8-15)20-13-12-19-14-16-4-1-2-5-16/h7-10,16H,1-2,4-5,11-14,18H2
InChIKeyNVBMVPRYYGQIFY-UHFFFAOYSA-N
XLogP2.58
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[2-(2-cyclopropylethoxy)ethoxy]phenyl]prop-2-yn-1-amine
CID 106203786
3-[4-(2-cyclobutyloxyethoxy)phenyl]prop-2-yn-1-amine
CID 62140094
4-[3-(cyclohexylmethoxy)propoxy]benzonitrile
CID 62381881
3-[3-[2-(cyclohexylmethoxy)ethoxy]phenyl]prop-2-yn-1-ol
CID 62383394
3-[4-[2-(3,3-dimethylbutoxy)ethoxy]phenyl]prop-2-yn-1-amine
CID 66227177
3-[4-[2-(3,3,3-trifluoropropoxy)ethoxy]phenyl]prop-2-yn-1-amine
CID 82955918
3-[4-(cyclopentylmethoxymethyl)-3-fluorophenyl]prop-2-yn-1-amine
CID 66323089
1-[4-[2-(cyclopentylmethoxy)ethoxy]phenyl]-N-methylmethanamine
CID 66324411
4-[2-(cyclohexylmethoxy)ethoxy]benzohydrazide
CID 63570015
3-[3-(cyclopentylmethoxymethyl)-4-methoxyphenyl]prop-2-yn-1-amine
CID 66323088
3-[3-(cyclohexylmethoxy)-4-fluorophenyl]prop-2-yn-1-amine
CID 114675760
3-[2-(cyclohexylmethoxy)ethoxy]benzonitrile
CID 62381700

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(cyclopentylmethoxy)ethoxy]phenyl]prop-2-yn-1-amine?
The IUPAC name of 3-[4-[2-(cyclopentylmethoxy)ethoxy]phenyl]prop-2-yn-1-amine (CID 66322876) is 3-[4-[2-(cyclopentylmethoxy)ethoxy]phenyl]prop-2-yn-1-amine.
What is the SMILES notation for 3-[4-[2-(cyclopentylmethoxy)ethoxy]phenyl]prop-2-yn-1-amine?
The canonical SMILES for 3-[4-[2-(cyclopentylmethoxy)ethoxy]phenyl]prop-2-yn-1-amine is NCC#Cc1ccc(OCCOCC2CCCC2)cc1.
What is the InChIKey of 3-[4-[2-(cyclopentylmethoxy)ethoxy]phenyl]prop-2-yn-1-amine?
The InChIKey is NVBMVPRYYGQIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c18-11-3-6-15-7-9-17(10-8-15)20-13-12-19-14-16-4-1-2-5-16/h7-10,16H,1-2,4-5,11-14,18H2.
What are the key properties of 3-[4-[2-(cyclopentylmethoxy)ethoxy]phenyl]prop-2-yn-1-amine?
3-[4-[2-(cyclopentylmethoxy)ethoxy]phenyl]prop-2-yn-1-amine has a molecular weight of 273.38 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(cyclopentylmethoxy)ethoxy]phenyl]prop-2-yn-1-amine is sourced from PubChem (CID 66322876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).