[(1R,4S)-4-[[(1S)-1-(4-methoxynaphthalen-1-yl)ethyl]amino]cyclopent-2-en-1-yl]methanol

C19H23NO2 — CID 99777354

IUPAC[(1R,4S)-4-[[(1S)-1-(4-methoxynaphthalen-1-yl)ethyl]amino]cyclopent-2-en-1-yl]methanol
SMILESCOc1ccc([C@H](C)N[C@@H]2C=C[C@H](CO)C2)c2ccccc12
InChIInChI=1S/C19H23NO2/c1-13(20-15-8-7-14(11-15)12-21)16-9-10-19(22-2)18-6-4-3-5-17(16)18/h3-10,13-15,20-21H,11-12H2,1-2H3/t13-,14-,15+/m0/s1
InChIKeyIJQUOXCPMARBHK-SOUVJXGZSA-N
MW297.40 g/mol
LogP3.44
Rot. Bonds5

About [(1R,4S)-4-[[(1S)-1-(4-methoxynaphthalen-1-yl)ethyl]amino]cyclopent-2-en-1-yl]methanol

[(1R,4S)-4-[[(1S)-1-(4-methoxynaphthalen-1-yl)ethyl]amino]cyclopent-2-en-1-yl]methanol (PubChem CID 99777354) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is [(1R,4S)-4-[[(1S)-1-(4-methoxynaphthalen-1-yl)ethyl]amino]cyclopent-2-en-1-yl]methanol.

Molecular Properties

Compound Name[(1R,4S)-4-[[(1S)-1-(4-methoxynaphthalen-1-yl)ethyl]amino]cyclopent-2-en-1-yl]methanol
PubChem CID99777354
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name[(1R,4S)-4-[[(1S)-1-(4-methoxynaphthalen-1-yl)ethyl]amino]cyclopent-2-en-1-yl]methanol
SMILESCOc1ccc([C@H](C)N[C@@H]2C=C[C@H](CO)C2)c2ccccc12
InChIInChI=1S/C19H23NO2/c1-13(20-15-8-7-14(11-15)12-21)16-9-10-19(22-2)18-6-4-3-5-17(16)18/h3-10,13-15,20-21H,11-12H2,1-2H3/t13-,14-,15+/m0/s1
InChIKeyIJQUOXCPMARBHK-SOUVJXGZSA-N
XLogP3.44
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(1R,4S)-4-[1-(5-chloro-2-methoxyphenyl)ethylamino]cyclopent-2-en-1-yl]methanol
CID 86787500
[(1R,4S)-4-[1-(2,3-difluorophenyl)ethylamino]cyclopent-2-en-1-yl]methanol
CID 86787513
(1R)-1-(4-methoxynaphthalen-1-yl)ethanol
CID 82758527
(3R)-N-[(1S)-1-(4-methoxynaphthalen-1-yl)ethyl]-2,3-dihydro-1-benzofuran-3-amine
CID 97065372
(4-methoxynaphthalen-1-yl)-(2-methylcyclopropyl)methanamine
CID 43150794
cyclopropyl-(4-methoxynaphthalen-1-yl)methanol
CID 61100695
1-(4-methoxynaphthalen-1-yl)propane-1,2,3-triol
CID 170818647
2,4-bis(4-methoxynaphthalen-1-yl)pentan-3-one
CID 151420468
(1S)-1-(2-methoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]ethanamine
CID 101003205
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[1-(2-methylphenyl)ethyl]urea
CID 111630257
1-(4-methoxynaphthalen-1-yl)-N,2-dimethylbutan-1-amine
CID 43480864
2-cyclobutyl-1-(4-methoxynaphthalen-1-yl)ethanol
CID 103165335

Frequently Asked Questions

What is the IUPAC name of [(1R,4S)-4-[[(1S)-1-(4-methoxynaphthalen-1-yl)ethyl]amino]cyclopent-2-en-1-yl]methanol?
The IUPAC name of [(1R,4S)-4-[[(1S)-1-(4-methoxynaphthalen-1-yl)ethyl]amino]cyclopent-2-en-1-yl]methanol (CID 99777354) is [(1R,4S)-4-[[(1S)-1-(4-methoxynaphthalen-1-yl)ethyl]amino]cyclopent-2-en-1-yl]methanol.
What is the SMILES notation for [(1R,4S)-4-[[(1S)-1-(4-methoxynaphthalen-1-yl)ethyl]amino]cyclopent-2-en-1-yl]methanol?
The canonical SMILES for [(1R,4S)-4-[[(1S)-1-(4-methoxynaphthalen-1-yl)ethyl]amino]cyclopent-2-en-1-yl]methanol is COc1ccc([C@H](C)N[C@@H]2C=C[C@H](CO)C2)c2ccccc12.
What is the InChIKey of [(1R,4S)-4-[[(1S)-1-(4-methoxynaphthalen-1-yl)ethyl]amino]cyclopent-2-en-1-yl]methanol?
The InChIKey is IJQUOXCPMARBHK-SOUVJXGZSA-N. The full InChI is InChI=1S/C19H23NO2/c1-13(20-15-8-7-14(11-15)12-21)16-9-10-19(22-2)18-6-4-3-5-17(16)18/h3-10,13-15,20-21H,11-12H2,1-2H3/t13-,14-,15+/m0/s1.
What are the key properties of [(1R,4S)-4-[[(1S)-1-(4-methoxynaphthalen-1-yl)ethyl]amino]cyclopent-2-en-1-yl]methanol?
[(1R,4S)-4-[[(1S)-1-(4-methoxynaphthalen-1-yl)ethyl]amino]cyclopent-2-en-1-yl]methanol has a molecular weight of 297.40 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4S)-4-[[(1S)-1-(4-methoxynaphthalen-1-yl)ethyl]amino]cyclopent-2-en-1-yl]methanol is sourced from PubChem (CID 99777354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).