[5-(cyclohex-3-en-1-ylmethylamino)-2-ethoxyphenyl]methanol

C16H23NO2 — CID 54880206

IUPAC[5-(cyclohex-3-en-1-ylmethylamino)-2-ethoxyphenyl]methanol
SMILESCCOc1ccc(NCC2CC=CCC2)cc1CO
InChIInChI=1S/C16H23NO2/c1-2-19-16-9-8-15(10-14(16)12-18)17-11-13-6-4-3-5-7-13/h3-4,8-10,13,17-18H,2,5-7,11-12H2,1H3
InChIKeyWQFGBWCDRXLBTH-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.35
Rot. Bonds6

About [5-(cyclohex-3-en-1-ylmethylamino)-2-ethoxyphenyl]methanol

[5-(cyclohex-3-en-1-ylmethylamino)-2-ethoxyphenyl]methanol (PubChem CID 54880206) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is [5-(cyclohex-3-en-1-ylmethylamino)-2-ethoxyphenyl]methanol.

Molecular Properties

Compound Name[5-(cyclohex-3-en-1-ylmethylamino)-2-ethoxyphenyl]methanol
PubChem CID54880206
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name[5-(cyclohex-3-en-1-ylmethylamino)-2-ethoxyphenyl]methanol
SMILESCCOc1ccc(NCC2CC=CCC2)cc1CO
InChIInChI=1S/C16H23NO2/c1-2-19-16-9-8-15(10-14(16)12-18)17-11-13-6-4-3-5-7-13/h3-4,8-10,13,17-18H,2,5-7,11-12H2,1H3
InChIKeyWQFGBWCDRXLBTH-UHFFFAOYSA-N
XLogP3.35
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 61059642
3-(chloromethyl)-N-(cyclopentylmethyl)-4-ethoxyaniline
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[5-(2,2-dimethylpropylamino)-2-ethoxyphenyl]methanol
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N-(cyclohex-3-en-1-ylmethyl)-3-cyclopentyloxy-4-methoxyaniline
CID 22747580
4-[4-ethoxy-3-(hydroxymethyl)anilino]cyclohexan-1-ol
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CID 94381179
N-(cyclohex-3-en-1-ylmethyl)-4-fluoro-3-methylaniline
CID 62810912
2-chloro-4-N-(cyclohex-3-en-1-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine
CID 55191974
3-chloro-N-(cyclohex-3-en-1-ylmethyl)-4-(difluoromethoxy)aniline
CID 43104519
N-[4-(cyclohex-3-en-1-ylmethylamino)phenyl]acetamide
CID 43200802
[2-ethoxy-5-[(3-methylcyclopentyl)amino]phenyl]methanol
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[2-ethoxy-5-[(4-propan-2-ylcyclohexyl)amino]phenyl]methanol
CID 62708979

Frequently Asked Questions

What is the IUPAC name of [5-(cyclohex-3-en-1-ylmethylamino)-2-ethoxyphenyl]methanol?
The IUPAC name of [5-(cyclohex-3-en-1-ylmethylamino)-2-ethoxyphenyl]methanol (CID 54880206) is [5-(cyclohex-3-en-1-ylmethylamino)-2-ethoxyphenyl]methanol.
What is the SMILES notation for [5-(cyclohex-3-en-1-ylmethylamino)-2-ethoxyphenyl]methanol?
The canonical SMILES for [5-(cyclohex-3-en-1-ylmethylamino)-2-ethoxyphenyl]methanol is CCOc1ccc(NCC2CC=CCC2)cc1CO.
What is the InChIKey of [5-(cyclohex-3-en-1-ylmethylamino)-2-ethoxyphenyl]methanol?
The InChIKey is WQFGBWCDRXLBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-19-16-9-8-15(10-14(16)12-18)17-11-13-6-4-3-5-7-13/h3-4,8-10,13,17-18H,2,5-7,11-12H2,1H3.
What are the key properties of [5-(cyclohex-3-en-1-ylmethylamino)-2-ethoxyphenyl]methanol?
[5-(cyclohex-3-en-1-ylmethylamino)-2-ethoxyphenyl]methanol has a molecular weight of 261.37 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(cyclohex-3-en-1-ylmethylamino)-2-ethoxyphenyl]methanol is sourced from PubChem (CID 54880206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).