3-[[(2-prop-2-ynoxyphenyl)methylamino]methyl]cyclohexan-1-ol

C17H23NO2 — CID 103699782

IUPAC3-[[(2-prop-2-ynoxyphenyl)methylamino]methyl]cyclohexan-1-ol
SMILESC#CCOc1ccccc1CNCC1CCCC(O)C1
InChIInChI=1S/C17H23NO2/c1-2-10-20-17-9-4-3-7-15(17)13-18-12-14-6-5-8-16(19)11-14/h1,3-4,7,9,14,16,18-19H,5-6,8,10-13H2
InChIKeyPCRWXNTUGGALHL-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.34
Rot. Bonds6

About 3-[[(2-prop-2-ynoxyphenyl)methylamino]methyl]cyclohexan-1-ol

3-[[(2-prop-2-ynoxyphenyl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 103699782) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-[[(2-prop-2-ynoxyphenyl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[(2-prop-2-ynoxyphenyl)methylamino]methyl]cyclohexan-1-ol
PubChem CID103699782
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name3-[[(2-prop-2-ynoxyphenyl)methylamino]methyl]cyclohexan-1-ol
SMILESC#CCOc1ccccc1CNCC1CCCC(O)C1
InChIInChI=1S/C17H23NO2/c1-2-10-20-17-9-4-3-7-15(17)13-18-12-14-6-5-8-16(19)11-14/h1,3-4,7,9,14,16,18-19H,5-6,8,10-13H2
InChIKeyPCRWXNTUGGALHL-UHFFFAOYSA-N
XLogP2.34
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.34
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

3-[[(2-prop-2-ynoxyphenyl)methylamino]methyl]cyclobutan-1-ol
CID 66004348
3-[[(2-propan-2-yloxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699790
2-cyclopentyl-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine
CID 60733626
3-[[(5-bromo-2-prop-2-ynoxyphenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270843
3-[[(2-cyclopropylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103739382
4-[(2-prop-2-ynoxyphenyl)methylamino]cyclohexan-1-ol
CID 28615243
1-(1-ethylpyrrolidin-2-yl)-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine
CID 43180690
1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine
CID 28618409
1-(4-fluoro-2-prop-2-ynoxyphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111475233
1-(cyclopropylmethyl)-2-prop-2-ynoxybenzene
CID 162161399
1-cyclobutyl-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine
CID 43298345
2-[2-[[(3-methylcyclopentyl)methylamino]methyl]phenoxy]acetonitrile
CID 107411817

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-prop-2-ynoxyphenyl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-[[(2-prop-2-ynoxyphenyl)methylamino]methyl]cyclohexan-1-ol (CID 103699782) is 3-[[(2-prop-2-ynoxyphenyl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[[(2-prop-2-ynoxyphenyl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[[(2-prop-2-ynoxyphenyl)methylamino]methyl]cyclohexan-1-ol is C#CCOc1ccccc1CNCC1CCCC(O)C1.
What is the InChIKey of 3-[[(2-prop-2-ynoxyphenyl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is PCRWXNTUGGALHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-2-10-20-17-9-4-3-7-15(17)13-18-12-14-6-5-8-16(19)11-14/h1,3-4,7,9,14,16,18-19H,5-6,8,10-13H2.
What are the key properties of 3-[[(2-prop-2-ynoxyphenyl)methylamino]methyl]cyclohexan-1-ol?
3-[[(2-prop-2-ynoxyphenyl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 273.38 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-prop-2-ynoxyphenyl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 103699782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).