1-[[[3-(hydroxymethyl)phenyl]methylamino]methyl]cyclohexan-1-ol

C15H23NO2 — CID 107230629

IUPAC1-[[[3-(hydroxymethyl)phenyl]methylamino]methyl]cyclohexan-1-ol
SMILESOCc1cccc(CNCC2(O)CCCCC2)c1
InChIInChI=1S/C15H23NO2/c17-11-14-6-4-5-13(9-14)10-16-12-15(18)7-2-1-3-8-15/h4-6,9,16-18H,1-3,7-8,10-12H2
InChIKeySUNOGAXRYNHBEK-UHFFFAOYSA-N
MW249.35 g/mol
LogP1.96
Rot. Bonds5

About 1-[[[3-(hydroxymethyl)phenyl]methylamino]methyl]cyclohexan-1-ol

1-[[[3-(hydroxymethyl)phenyl]methylamino]methyl]cyclohexan-1-ol (PubChem CID 107230629) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-[[[3-(hydroxymethyl)phenyl]methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[[3-(hydroxymethyl)phenyl]methylamino]methyl]cyclohexan-1-ol
PubChem CID107230629
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-[[[3-(hydroxymethyl)phenyl]methylamino]methyl]cyclohexan-1-ol
SMILESOCc1cccc(CNCC2(O)CCCCC2)c1
InChIInChI=1S/C15H23NO2/c17-11-14-6-4-5-13(9-14)10-16-12-15(18)7-2-1-3-8-15/h4-6,9,16-18H,1-3,7-8,10-12H2
InChIKeySUNOGAXRYNHBEK-UHFFFAOYSA-N
XLogP1.96
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(benzylamino)methyl]cycloheptan-1-ol
CID 60710694
3-[[(1-hydroxycyclohexyl)methylamino]methyl]benzonitrile
CID 54936607
1-[[(3-ethoxyphenyl)methylamino]methyl]cycloheptan-1-ol
CID 60908745
1-[[(3-propan-2-yloxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 62866200
1-[[(4-aminophenyl)methylamino]methyl]cyclohexan-1-ol
CID 126846834
1-[[(4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 17442249
1-[[(3-chloro-4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 62538939
4-[[(3-methylphenyl)methylamino]methyl]oxan-4-ol
CID 78928927
3-[[3-[[(1-hydroxycycloheptyl)methylamino]methyl]phenoxy]methyl]benzonitrile
CID 166209562
1-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 103796386
1-[(1H-indol-6-ylmethylamino)methyl]cyclohexan-1-ol
CID 102911180
1-[(1H-pyrrol-3-ylmethylamino)methyl]cycloheptan-1-ol
CID 66410082

Frequently Asked Questions

What is the IUPAC name of 1-[[[3-(hydroxymethyl)phenyl]methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[[3-(hydroxymethyl)phenyl]methylamino]methyl]cyclohexan-1-ol (CID 107230629) is 1-[[[3-(hydroxymethyl)phenyl]methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[[3-(hydroxymethyl)phenyl]methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[[3-(hydroxymethyl)phenyl]methylamino]methyl]cyclohexan-1-ol is OCc1cccc(CNCC2(O)CCCCC2)c1.
What is the InChIKey of 1-[[[3-(hydroxymethyl)phenyl]methylamino]methyl]cyclohexan-1-ol?
The InChIKey is SUNOGAXRYNHBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c17-11-14-6-4-5-13(9-14)10-16-12-15(18)7-2-1-3-8-15/h4-6,9,16-18H,1-3,7-8,10-12H2.
What are the key properties of 1-[[[3-(hydroxymethyl)phenyl]methylamino]methyl]cyclohexan-1-ol?
1-[[[3-(hydroxymethyl)phenyl]methylamino]methyl]cyclohexan-1-ol has a molecular weight of 249.35 g/mol, XLogP of 1.96, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[3-(hydroxymethyl)phenyl]methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 107230629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).