3-[3-(cyclopentylmethoxymethyl)-4-methoxyphenyl]prop-2-yn-1-amine

C17H23NO2 — CID 66323088

IUPAC3-[3-(cyclopentylmethoxymethyl)-4-methoxyphenyl]prop-2-yn-1-amine
SMILESCOc1ccc(C#CCN)cc1COCC1CCCC1
InChIInChI=1S/C17H23NO2/c1-19-17-9-8-14(7-4-10-18)11-16(17)13-20-12-15-5-2-3-6-15/h8-9,11,15H,2-3,5-6,10,12-13,18H2,1H3
InChIKeyUEOXROXTSKCINZ-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.71
Rot. Bonds5

About 3-[3-(cyclopentylmethoxymethyl)-4-methoxyphenyl]prop-2-yn-1-amine

3-[3-(cyclopentylmethoxymethyl)-4-methoxyphenyl]prop-2-yn-1-amine (PubChem CID 66323088) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-[3-(cyclopentylmethoxymethyl)-4-methoxyphenyl]prop-2-yn-1-amine.

Molecular Properties

Compound Name3-[3-(cyclopentylmethoxymethyl)-4-methoxyphenyl]prop-2-yn-1-amine
PubChem CID66323088
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name3-[3-(cyclopentylmethoxymethyl)-4-methoxyphenyl]prop-2-yn-1-amine
SMILESCOc1ccc(C#CCN)cc1COCC1CCCC1
InChIInChI=1S/C17H23NO2/c1-19-17-9-8-14(7-4-10-18)11-16(17)13-20-12-15-5-2-3-6-15/h8-9,11,15H,2-3,5-6,10,12-13,18H2,1H3
InChIKeyUEOXROXTSKCINZ-UHFFFAOYSA-N
XLogP2.71
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(cyclopentylmethoxymethyl)-3-fluorophenyl]prop-2-yn-1-amine
CID 66323089
[3-(cyclohexylmethoxymethyl)-4-methoxyphenyl]boronic acid
CID 62382655
3-[4-[2-(cyclopentylmethoxy)ethoxy]phenyl]prop-2-yn-1-amine
CID 66322876
3-[3-(cyclohexylmethoxy)-4-fluorophenyl]prop-2-yn-1-amine
CID 114675760
3-[4-methoxy-3-(pentan-2-yloxymethyl)phenyl]prop-2-yn-1-amine
CID 102983240
3-[2-(cyclopentylmethoxy)-5-methoxyphenyl]prop-2-yn-1-amine
CID 104706862
[3-(cyclopropylmethoxymethyl)-4-methoxyphenyl]methanol
CID 62017661
3-[3-(cyclobutyloxymethyl)-4-methoxyphenyl]prop-2-yn-1-ol
CID 62141418
3-[3-[[cyclopentylmethyl(methyl)amino]methyl]-4-methoxyphenyl]prop-2-yn-1-ol
CID 63631805
3-[2-(cyclopentylmethoxymethyl)thiophen-3-yl]prop-2-yn-1-amine
CID 66322666
4-[(2-methoxy-5-methylphenyl)methoxymethyl]piperidine
CID 55060565
3-(3-chloro-4-methoxyphenyl)prop-2-yn-1-amine
CID 60802193

Frequently Asked Questions

What is the IUPAC name of 3-[3-(cyclopentylmethoxymethyl)-4-methoxyphenyl]prop-2-yn-1-amine?
The IUPAC name of 3-[3-(cyclopentylmethoxymethyl)-4-methoxyphenyl]prop-2-yn-1-amine (CID 66323088) is 3-[3-(cyclopentylmethoxymethyl)-4-methoxyphenyl]prop-2-yn-1-amine.
What is the SMILES notation for 3-[3-(cyclopentylmethoxymethyl)-4-methoxyphenyl]prop-2-yn-1-amine?
The canonical SMILES for 3-[3-(cyclopentylmethoxymethyl)-4-methoxyphenyl]prop-2-yn-1-amine is COc1ccc(C#CCN)cc1COCC1CCCC1.
What is the InChIKey of 3-[3-(cyclopentylmethoxymethyl)-4-methoxyphenyl]prop-2-yn-1-amine?
The InChIKey is UEOXROXTSKCINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-19-17-9-8-14(7-4-10-18)11-16(17)13-20-12-15-5-2-3-6-15/h8-9,11,15H,2-3,5-6,10,12-13,18H2,1H3.
What are the key properties of 3-[3-(cyclopentylmethoxymethyl)-4-methoxyphenyl]prop-2-yn-1-amine?
3-[3-(cyclopentylmethoxymethyl)-4-methoxyphenyl]prop-2-yn-1-amine has a molecular weight of 273.38 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(cyclopentylmethoxymethyl)-4-methoxyphenyl]prop-2-yn-1-amine is sourced from PubChem (CID 66323088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).