4-[[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]methyl]cyclohexan-1-ol

C16H23NO4 — CID 106124710

IUPAC4-[[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]methyl]cyclohexan-1-ol
SMILESCOc1cc(CNCC2CCC(O)CC2)cc2c1OCO2
InChIInChI=1S/C16H23NO4/c1-19-14-6-12(7-15-16(14)21-10-20-15)9-17-8-11-2-4-13(18)5-3-11/h6-7,11,13,17-18H,2-5,8-10H2,1H3
InChIKeyKSRHLYGLDHPCDH-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.06
Rot. Bonds5

About 4-[[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]methyl]cyclohexan-1-ol

4-[[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 106124710) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 4-[[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]methyl]cyclohexan-1-ol
PubChem CID106124710
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name4-[[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]methyl]cyclohexan-1-ol
SMILESCOc1cc(CNCC2CCC(O)CC2)cc2c1OCO2
InChIInChI=1S/C16H23NO4/c1-19-14-6-12(7-15-16(14)21-10-20-15)9-17-8-11-2-4-13(18)5-3-11/h6-7,11,13,17-18H,2-5,8-10H2,1H3
InChIKeyKSRHLYGLDHPCDH-UHFFFAOYSA-N
XLogP2.06
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]methyl]cyclohexan-1-ol 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

N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-(3-methylcyclopentyl)methanamine
CID 107411697
3-[[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]methyl]cyclopentan-1-ol
CID 103270686
4-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]cyclohexan-1-ol;hydrochloride
CID 56827806
N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-(oxan-3-yl)methanamine
CID 115587274
4-[[(7-chloro-1,3-benzodioxol-5-yl)methylamino]methyl]cyclohexan-1-ol
CID 106126426
1-(1-cyclopropylpyrrolidin-3-yl)-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]methanamine
CID 56812587
1-cyclobutyl-N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]methanamine
CID 60790517
2-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]ethanol
CID 115572492
N,N'-bis[(7-methoxy-1,3-benzodioxol-5-yl)methyl]propane-1,3-diamine
CID 134686709
N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-methylbut-2-en-1-amine
CID 103528019
N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 103626267
N,N'-bis[(7-methoxy-1,3-benzodioxol-5-yl)methyl]heptane-1,7-diamine
CID 53484108

Frequently Asked Questions

What is the IUPAC name of 4-[[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]methyl]cyclohexan-1-ol (CID 106124710) is 4-[[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]methyl]cyclohexan-1-ol is COc1cc(CNCC2CCC(O)CC2)cc2c1OCO2.
What is the InChIKey of 4-[[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is KSRHLYGLDHPCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-19-14-6-12(7-15-16(14)21-10-20-15)9-17-8-11-2-4-13(18)5-3-11/h6-7,11,13,17-18H,2-5,8-10H2,1H3.
What are the key properties of 4-[[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]methyl]cyclohexan-1-ol?
4-[[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 293.36 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106124710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).