1-[[4-[(2-methylpropylamino)methyl]phenoxy]methyl]cyclohexan-1-ol

C18H29NO2 — CID 65208708

IUPAC1-[[4-[(2-methylpropylamino)methyl]phenoxy]methyl]cyclohexan-1-ol
SMILESCC(C)CNCc1ccc(OCC2(O)CCCCC2)cc1
InChIInChI=1S/C18H29NO2/c1-15(2)12-19-13-16-6-8-17(9-7-16)21-14-18(20)10-4-3-5-11-18/h6-9,15,19-20H,3-5,10-14H2,1-2H3
InChIKeyQUNPVBCULAAXKE-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.51
Rot. Bonds7

About 1-[[4-[(2-methylpropylamino)methyl]phenoxy]methyl]cyclohexan-1-ol

1-[[4-[(2-methylpropylamino)methyl]phenoxy]methyl]cyclohexan-1-ol (PubChem CID 65208708) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-[[4-[(2-methylpropylamino)methyl]phenoxy]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[4-[(2-methylpropylamino)methyl]phenoxy]methyl]cyclohexan-1-ol
PubChem CID65208708
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name1-[[4-[(2-methylpropylamino)methyl]phenoxy]methyl]cyclohexan-1-ol
SMILESCC(C)CNCc1ccc(OCC2(O)CCCCC2)cc1
InChIInChI=1S/C18H29NO2/c1-15(2)12-19-13-16-6-8-17(9-7-16)21-14-18(20)10-4-3-5-11-18/h6-9,15,19-20H,3-5,10-14H2,1-2H3
InChIKeyQUNPVBCULAAXKE-UHFFFAOYSA-N
XLogP3.51
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[4-[2-(methylamino)propyl]phenoxy]methyl]cyclopentan-1-ol
CID 115494643
1-[[4-(3-hydroxybutyl)phenoxy]methyl]cyclohexan-1-ol
CID 65213368
N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine
CID 961342
2-[4-[(2-methylpropylamino)methyl]phenoxy]-N-propan-2-ylacetamide
CID 63062886
1-[[4-[(1R)-1-aminoethyl]phenoxy]methyl]cyclohexan-1-ol
CID 79004891
N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 17291298
2-methyl-N-[(4-propoxyphenyl)methyl]propan-1-amine
CID 28610770
1-[[4-methyl-2-[(2-methylpropylamino)methyl]phenoxy]methyl]cyclopentan-1-ol
CID 65211448
3-[4-[(2-methylpropylamino)methyl]phenoxy]propane-1,2-diol
CID 82850377
1-[[[4-(2,2-difluoroethoxy)phenyl]methylamino]methyl]cyclopentan-1-ol
CID 111466689
2-(1-hydroxycyclohexyl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 111331803
1-[[(4-methoxyphenyl)methylamino]methyl]cyclopentan-1-ol
CID 63931646

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(2-methylpropylamino)methyl]phenoxy]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[4-[(2-methylpropylamino)methyl]phenoxy]methyl]cyclohexan-1-ol (CID 65208708) is 1-[[4-[(2-methylpropylamino)methyl]phenoxy]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[4-[(2-methylpropylamino)methyl]phenoxy]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[4-[(2-methylpropylamino)methyl]phenoxy]methyl]cyclohexan-1-ol is CC(C)CNCc1ccc(OCC2(O)CCCCC2)cc1.
What is the InChIKey of 1-[[4-[(2-methylpropylamino)methyl]phenoxy]methyl]cyclohexan-1-ol?
The InChIKey is QUNPVBCULAAXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-15(2)12-19-13-16-6-8-17(9-7-16)21-14-18(20)10-4-3-5-11-18/h6-9,15,19-20H,3-5,10-14H2,1-2H3.
What are the key properties of 1-[[4-[(2-methylpropylamino)methyl]phenoxy]methyl]cyclohexan-1-ol?
1-[[4-[(2-methylpropylamino)methyl]phenoxy]methyl]cyclohexan-1-ol has a molecular weight of 291.44 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(2-methylpropylamino)methyl]phenoxy]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65208708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).