1-[[(3-propan-2-yloxyphenyl)methylamino]methyl]cyclohexan-1-ol

C17H27NO2 — CID 62866200

IUPAC1-[[(3-propan-2-yloxyphenyl)methylamino]methyl]cyclohexan-1-ol
SMILESCC(C)Oc1cccc(CNCC2(O)CCCCC2)c1
InChIInChI=1S/C17H27NO2/c1-14(2)20-16-8-6-7-15(11-16)12-18-13-17(19)9-4-3-5-10-17/h6-8,11,14,18-19H,3-5,9-10,12-13H2,1-2H3
InChIKeyCRDGLKIGOWKJBC-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.26
Rot. Bonds6

About 1-[[(3-propan-2-yloxyphenyl)methylamino]methyl]cyclohexan-1-ol

1-[[(3-propan-2-yloxyphenyl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 62866200) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-[[(3-propan-2-yloxyphenyl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(3-propan-2-yloxyphenyl)methylamino]methyl]cyclohexan-1-ol
PubChem CID62866200
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-[[(3-propan-2-yloxyphenyl)methylamino]methyl]cyclohexan-1-ol
SMILESCC(C)Oc1cccc(CNCC2(O)CCCCC2)c1
InChIInChI=1S/C17H27NO2/c1-14(2)20-16-8-6-7-15(11-16)12-18-13-17(19)9-4-3-5-10-17/h6-8,11,14,18-19H,3-5,9-10,12-13H2,1-2H3
InChIKeyCRDGLKIGOWKJBC-UHFFFAOYSA-N
XLogP3.26
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(3-ethoxyphenyl)methylamino]methyl]cycloheptan-1-ol
CID 60908745
1-[[[3-(hydroxymethyl)phenyl]methylamino]methyl]cyclohexan-1-ol
CID 107230629
1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]methanamine
CID 39357787
1-[(1-hydroxycycloheptyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 111425507
1-[(benzylamino)methyl]cycloheptan-1-ol
CID 60710694
3-[[3-[[(1-hydroxycycloheptyl)methylamino]methyl]phenoxy]methyl]benzonitrile
CID 166209562
3-[[(1-hydroxycyclohexyl)methylamino]methyl]benzonitrile
CID 54936607
1-[1-(hydroxymethyl)cyclopentyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea
CID 71917886
1-[[3-(methylaminomethyl)phenoxy]methyl]cyclohexan-1-ol
CID 65208592
(1S)-1-cycloheptyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 81390243
1-cyclohexyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 63476778
N-[(1-hydroxycyclohexyl)methyl]-2-(3-methoxyphenyl)acetamide
CID 64866121

Frequently Asked Questions

What is the IUPAC name of 1-[[(3-propan-2-yloxyphenyl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[(3-propan-2-yloxyphenyl)methylamino]methyl]cyclohexan-1-ol (CID 62866200) is 1-[[(3-propan-2-yloxyphenyl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[(3-propan-2-yloxyphenyl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[(3-propan-2-yloxyphenyl)methylamino]methyl]cyclohexan-1-ol is CC(C)Oc1cccc(CNCC2(O)CCCCC2)c1.
What is the InChIKey of 1-[[(3-propan-2-yloxyphenyl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is CRDGLKIGOWKJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-14(2)20-16-8-6-7-15(11-16)12-18-13-17(19)9-4-3-5-10-17/h6-8,11,14,18-19H,3-5,9-10,12-13H2,1-2H3.
What are the key properties of 1-[[(3-propan-2-yloxyphenyl)methylamino]methyl]cyclohexan-1-ol?
1-[[(3-propan-2-yloxyphenyl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 277.41 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3-propan-2-yloxyphenyl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 62866200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).