2-(cyclopent-3-en-1-ylamino)-1-(3-methoxyphenyl)ethanol

C14H19NO2 — CID 113475226

IUPAC2-(cyclopent-3-en-1-ylamino)-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)CNC2CC=CC2)c1
InChIInChI=1S/C14H19NO2/c1-17-13-8-4-5-11(9-13)14(16)10-15-12-6-2-3-7-12/h2-5,8-9,12,14-16H,6-7,10H2,1H3
InChIKeyBGYFMTJIOGSSLF-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.04
Rot. Bonds5

About 2-(cyclopent-3-en-1-ylamino)-1-(3-methoxyphenyl)ethanol

2-(cyclopent-3-en-1-ylamino)-1-(3-methoxyphenyl)ethanol (PubChem CID 113475226) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(cyclopent-3-en-1-ylamino)-1-(3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(cyclopent-3-en-1-ylamino)-1-(3-methoxyphenyl)ethanol
PubChem CID113475226
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-(cyclopent-3-en-1-ylamino)-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)CNC2CC=CC2)c1
InChIInChI=1S/C14H19NO2/c1-17-13-8-4-5-11(9-13)14(16)10-15-12-6-2-3-7-12/h2-5,8-9,12,14-16H,6-7,10H2,1H3
InChIKeyBGYFMTJIOGSSLF-UHFFFAOYSA-N
XLogP2.04
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.04
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

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CID 81134353
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CID 81133622
4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]cyclohexane-1-carboxamide
CID 81134804
1-(3-methoxyphenyl)-2-[(2-propan-2-ylcyclohexyl)amino]ethanol
CID 81338115
methyl N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamate
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CID 111755539
1-(3-methoxyphenyl)-2-(propylamino)ethanol
CID 15006474
2-(cyclohexylamino)-1-(3-propan-2-yloxyphenyl)ethanol
CID 110922419
1-(3-methoxyphenyl)-2-(2-methylprop-2-enylamino)ethanol
CID 114616947
1-(cyclopropylmethyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea
CID 111115133
2-(cyclopentylamino)-1-(3,5-dimethoxyphenyl)ethanol
CID 110922411
N-[2-(3-methoxyphenyl)-3-methylbutyl]cyclopropanamine
CID 66244884

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopent-3-en-1-ylamino)-1-(3-methoxyphenyl)ethanol?
The IUPAC name of 2-(cyclopent-3-en-1-ylamino)-1-(3-methoxyphenyl)ethanol (CID 113475226) is 2-(cyclopent-3-en-1-ylamino)-1-(3-methoxyphenyl)ethanol.
What is the SMILES notation for 2-(cyclopent-3-en-1-ylamino)-1-(3-methoxyphenyl)ethanol?
The canonical SMILES for 2-(cyclopent-3-en-1-ylamino)-1-(3-methoxyphenyl)ethanol is COc1cccc(C(O)CNC2CC=CC2)c1.
What is the InChIKey of 2-(cyclopent-3-en-1-ylamino)-1-(3-methoxyphenyl)ethanol?
The InChIKey is BGYFMTJIOGSSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-17-13-8-4-5-11(9-13)14(16)10-15-12-6-2-3-7-12/h2-5,8-9,12,14-16H,6-7,10H2,1H3.
What are the key properties of 2-(cyclopent-3-en-1-ylamino)-1-(3-methoxyphenyl)ethanol?
2-(cyclopent-3-en-1-ylamino)-1-(3-methoxyphenyl)ethanol has a molecular weight of 233.31 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopent-3-en-1-ylamino)-1-(3-methoxyphenyl)ethanol is sourced from PubChem (CID 113475226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).