[(1R,4S)-4-[1-(5-chloro-2-methoxyphenyl)ethylamino]cyclopent-2-en-1-yl]methanol

C15H20ClNO2 — CID 86787500

IUPAC[(1R,4S)-4-[1-(5-chloro-2-methoxyphenyl)ethylamino]cyclopent-2-en-1-yl]methanol
SMILESCOc1ccc(Cl)cc1C(C)N[C@@H]1C=C[C@H](CO)C1
InChIInChI=1S/C15H20ClNO2/c1-10(17-13-5-3-11(7-13)9-18)14-8-12(16)4-6-15(14)19-2/h3-6,8,10-11,13,17-18H,7,9H2,1-2H3/t10?,11-,13+/m0/s1
InChIKeyYJOVYPZNURZYIP-QMDRTORHSA-N
MW281.78 g/mol
LogP2.94
Rot. Bonds5

About [(1R,4S)-4-[1-(5-chloro-2-methoxyphenyl)ethylamino]cyclopent-2-en-1-yl]methanol

[(1R,4S)-4-[1-(5-chloro-2-methoxyphenyl)ethylamino]cyclopent-2-en-1-yl]methanol (PubChem CID 86787500) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is [(1R,4S)-4-[1-(5-chloro-2-methoxyphenyl)ethylamino]cyclopent-2-en-1-yl]methanol.

Molecular Properties

Compound Name[(1R,4S)-4-[1-(5-chloro-2-methoxyphenyl)ethylamino]cyclopent-2-en-1-yl]methanol
PubChem CID86787500
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name[(1R,4S)-4-[1-(5-chloro-2-methoxyphenyl)ethylamino]cyclopent-2-en-1-yl]methanol
SMILESCOc1ccc(Cl)cc1C(C)N[C@@H]1C=C[C@H](CO)C1
InChIInChI=1S/C15H20ClNO2/c1-10(17-13-5-3-11(7-13)9-18)14-8-12(16)4-6-15(14)19-2/h3-6,8,10-11,13,17-18H,7,9H2,1-2H3/t10?,11-,13+/m0/s1
InChIKeyYJOVYPZNURZYIP-QMDRTORHSA-N
XLogP2.94
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 52.94
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-[[(1S)-1-(4-methoxynaphthalen-1-yl)ethyl]amino]cyclopent-2-en-1-yl]methanol
CID 99777354
(2S)-1-[1-(5-chloro-2-methoxyphenyl)ethylamino]propan-2-ol
CID 103906405
2-(5-chloro-2-methoxyphenyl)propane-1,3-diol
CID 82113852
3-[amino-(5-chloro-2-methoxyphenyl)methyl]cyclobutan-1-amine
CID 116937310
(5-chloro-2-methoxyphenyl)-(2-methylcyclopropyl)methanol
CID 65420387
(2S)-2-amino-2-(5-chloro-2-methoxyphenyl)ethanol;hydrochloride
CID 171215057
3-[bromo-(5-chloro-2-methoxyphenyl)methyl]bicyclo[3.1.0]hexane
CID 104546565
N-[1-(5-chloro-2-methoxyphenyl)ethyl]-3-(methylamino)propanamide
CID 112515048
2-(1-bromopropan-2-yl)-4-chloro-1-methoxybenzene
CID 82091358
(3R)-3-[[[(1R)-1-(5-chloro-2-methoxyphenyl)ethyl]amino]methyl]thiolan-3-ol
CID 97233124
3-(5-chloro-2-methoxyphenyl)-N-ethylbutan-1-amine
CID 81019509
1-(5-chloro-2-methoxyphenyl)-1-N-methylbutane-1,3-diamine
CID 116948837

Frequently Asked Questions

What is the IUPAC name of [(1R,4S)-4-[1-(5-chloro-2-methoxyphenyl)ethylamino]cyclopent-2-en-1-yl]methanol?
The IUPAC name of [(1R,4S)-4-[1-(5-chloro-2-methoxyphenyl)ethylamino]cyclopent-2-en-1-yl]methanol (CID 86787500) is [(1R,4S)-4-[1-(5-chloro-2-methoxyphenyl)ethylamino]cyclopent-2-en-1-yl]methanol.
What is the SMILES notation for [(1R,4S)-4-[1-(5-chloro-2-methoxyphenyl)ethylamino]cyclopent-2-en-1-yl]methanol?
The canonical SMILES for [(1R,4S)-4-[1-(5-chloro-2-methoxyphenyl)ethylamino]cyclopent-2-en-1-yl]methanol is COc1ccc(Cl)cc1C(C)N[C@@H]1C=C[C@H](CO)C1.
What is the InChIKey of [(1R,4S)-4-[1-(5-chloro-2-methoxyphenyl)ethylamino]cyclopent-2-en-1-yl]methanol?
The InChIKey is YJOVYPZNURZYIP-QMDRTORHSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-10(17-13-5-3-11(7-13)9-18)14-8-12(16)4-6-15(14)19-2/h3-6,8,10-11,13,17-18H,7,9H2,1-2H3/t10?,11-,13+/m0/s1.
What are the key properties of [(1R,4S)-4-[1-(5-chloro-2-methoxyphenyl)ethylamino]cyclopent-2-en-1-yl]methanol?
[(1R,4S)-4-[1-(5-chloro-2-methoxyphenyl)ethylamino]cyclopent-2-en-1-yl]methanol has a molecular weight of 281.78 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4S)-4-[1-(5-chloro-2-methoxyphenyl)ethylamino]cyclopent-2-en-1-yl]methanol is sourced from PubChem (CID 86787500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).