4-[(2-prop-2-ynoxyphenyl)methylamino]cyclohexan-1-ol

C16H21NO2 — CID 28615243

IUPAC4-[(2-prop-2-ynoxyphenyl)methylamino]cyclohexan-1-ol
SMILESC#CCOc1ccccc1CNC1CCC(O)CC1
InChIInChI=1S/C16H21NO2/c1-2-11-19-16-6-4-3-5-13(16)12-17-14-7-9-15(18)10-8-14/h1,3-6,14-15,17-18H,7-12H2
InChIKeyYTUMHXJFKCGYFE-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.09
Rot. Bonds5

About 4-[(2-prop-2-ynoxyphenyl)methylamino]cyclohexan-1-ol

4-[(2-prop-2-ynoxyphenyl)methylamino]cyclohexan-1-ol (PubChem CID 28615243) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-[(2-prop-2-ynoxyphenyl)methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(2-prop-2-ynoxyphenyl)methylamino]cyclohexan-1-ol
PubChem CID28615243
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name4-[(2-prop-2-ynoxyphenyl)methylamino]cyclohexan-1-ol
SMILESC#CCOc1ccccc1CNC1CCC(O)CC1
InChIInChI=1S/C16H21NO2/c1-2-11-19-16-6-4-3-5-13(16)12-17-14-7-9-15(18)10-8-14/h1,3-6,14-15,17-18H,7-12H2
InChIKeyYTUMHXJFKCGYFE-UHFFFAOYSA-N
XLogP2.09
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[[(4-hydroxycyclohexyl)amino]methyl]phenoxy]acetonitrile
CID 43220626
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CID 103081772
4-[(2-prop-2-enoxyphenyl)methylamino]cyclohexan-1-ol
CID 43220623
N-[(2-prop-2-ynoxyphenyl)methyl]thiolan-3-amine
CID 103902341
3-[[(2-prop-2-ynoxyphenyl)methylamino]methyl]cyclobutan-1-ol
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1-propyl-N-[(2-prop-2-ynoxyphenyl)methyl]piperidin-4-amine
CID 28718379
3,3-dimethyl-N-[(2-prop-2-ynoxyphenyl)methyl]cyclopentan-1-amine
CID 114544341
4-[(2-prop-2-ynoxyphenyl)methylamino]pyrrolidin-2-one
CID 114155088
3-[[(2-prop-2-ynoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699782
1,1-dicyclopropyl-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine
CID 28661521
1-(cyclopropylmethyl)-2-prop-2-ynoxybenzene
CID 162161399
N-[(2-prop-2-ynoxyphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80601915

Frequently Asked Questions

What is the IUPAC name of 4-[(2-prop-2-ynoxyphenyl)methylamino]cyclohexan-1-ol?
The IUPAC name of 4-[(2-prop-2-ynoxyphenyl)methylamino]cyclohexan-1-ol (CID 28615243) is 4-[(2-prop-2-ynoxyphenyl)methylamino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(2-prop-2-ynoxyphenyl)methylamino]cyclohexan-1-ol?
The canonical SMILES for 4-[(2-prop-2-ynoxyphenyl)methylamino]cyclohexan-1-ol is C#CCOc1ccccc1CNC1CCC(O)CC1.
What is the InChIKey of 4-[(2-prop-2-ynoxyphenyl)methylamino]cyclohexan-1-ol?
The InChIKey is YTUMHXJFKCGYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-2-11-19-16-6-4-3-5-13(16)12-17-14-7-9-15(18)10-8-14/h1,3-6,14-15,17-18H,7-12H2.
What are the key properties of 4-[(2-prop-2-ynoxyphenyl)methylamino]cyclohexan-1-ol?
4-[(2-prop-2-ynoxyphenyl)methylamino]cyclohexan-1-ol has a molecular weight of 259.35 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-prop-2-ynoxyphenyl)methylamino]cyclohexan-1-ol is sourced from PubChem (CID 28615243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).