[1-[(1,3-benzodioxol-5-ylmethylamino)methyl]cyclohexyl]methanol

C16H23NO3 — CID 81411910

IUPAC[1-[(1,3-benzodioxol-5-ylmethylamino)methyl]cyclohexyl]methanol
SMILESOCC1(CNCc2ccc3c(c2)OCO3)CCCCC1
InChIInChI=1S/C16H23NO3/c18-11-16(6-2-1-3-7-16)10-17-9-13-4-5-14-15(8-13)20-12-19-14/h4-5,8,17-18H,1-3,6-7,9-12H2
InChIKeyAINFLZFUEYUPCJ-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.45
Rot. Bonds5

About [1-[(1,3-benzodioxol-5-ylmethylamino)methyl]cyclohexyl]methanol

[1-[(1,3-benzodioxol-5-ylmethylamino)methyl]cyclohexyl]methanol (PubChem CID 81411910) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is [1-[(1,3-benzodioxol-5-ylmethylamino)methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(1,3-benzodioxol-5-ylmethylamino)methyl]cyclohexyl]methanol
PubChem CID81411910
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name[1-[(1,3-benzodioxol-5-ylmethylamino)methyl]cyclohexyl]methanol
SMILESOCC1(CNCc2ccc3c(c2)OCO3)CCCCC1
InChIInChI=1S/C16H23NO3/c18-11-16(6-2-1-3-7-16)10-17-9-13-4-5-14-15(8-13)20-12-19-14/h4-5,8,17-18H,1-3,6-7,9-12H2
InChIKeyAINFLZFUEYUPCJ-UHFFFAOYSA-N
XLogP2.45
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [1-[(1,3-benzodioxol-5-ylmethylamino)methyl]cyclohexyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1,3-benzodioxol-5-yl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propanamide
CID 91954466
1-(1,3-benzodioxol-5-yl)-N-[(1-methylcyclopropyl)methyl]methanamine
CID 107165772
1-(1,3-benzodioxol-5-yl)-N-[(3-ethyloxetan-3-yl)methyl]methanamine
CID 71853567
[1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclohexyl]methanol
CID 106817065
[1-[[(4-methylphenyl)methylamino]methyl]cyclopentyl]methanol
CID 113293545
[1-[[(4-cyclopropylphenyl)methylamino]methyl]cyclohexyl]methanol
CID 103965842
[1-[[(4-bromo-3-chlorophenyl)methylamino]methyl]cyclopentyl]methanol
CID 103581870
[1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclopentyl]methanol
CID 106817015
[1-[[(3,4-dimethoxyphenyl)methylamino]methyl]cyclopentyl]methanol
CID 115358427
1-amino-N-(1,3-benzodioxol-5-ylmethyl)cyclohexane-1-carboxamide
CID 39058403
1-[1-(1,3-benzodioxol-5-ylmethyl)cyclobutyl]-N-methylmethanamine
CID 116929385
N-(1,3-benzodioxol-5-ylmethyl)-2-fluoroethanamine
CID 80695679

Frequently Asked Questions

What is the IUPAC name of [1-[(1,3-benzodioxol-5-ylmethylamino)methyl]cyclohexyl]methanol?
The IUPAC name of [1-[(1,3-benzodioxol-5-ylmethylamino)methyl]cyclohexyl]methanol (CID 81411910) is [1-[(1,3-benzodioxol-5-ylmethylamino)methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[(1,3-benzodioxol-5-ylmethylamino)methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[(1,3-benzodioxol-5-ylmethylamino)methyl]cyclohexyl]methanol is OCC1(CNCc2ccc3c(c2)OCO3)CCCCC1.
What is the InChIKey of [1-[(1,3-benzodioxol-5-ylmethylamino)methyl]cyclohexyl]methanol?
The InChIKey is AINFLZFUEYUPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c18-11-16(6-2-1-3-7-16)10-17-9-13-4-5-14-15(8-13)20-12-19-14/h4-5,8,17-18H,1-3,6-7,9-12H2.
What are the key properties of [1-[(1,3-benzodioxol-5-ylmethylamino)methyl]cyclohexyl]methanol?
[1-[(1,3-benzodioxol-5-ylmethylamino)methyl]cyclohexyl]methanol has a molecular weight of 277.36 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1,3-benzodioxol-5-ylmethylamino)methyl]cyclohexyl]methanol is sourced from PubChem (CID 81411910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).