[1-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclohexyl]methanol

C17H27NO3 — CID 115683825

IUPAC[1-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclohexyl]methanol
SMILESCOc1ccc(OC)c(CNCC2(CO)CCCCC2)c1
InChIInChI=1S/C17H27NO3/c1-20-15-6-7-16(21-2)14(10-15)11-18-12-17(13-19)8-4-3-5-9-17/h6-7,10,18-19H,3-5,8-9,11-13H2,1-2H3
InChIKeyDZFUKAUMCMXZTK-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.74
Rot. Bonds7

About [1-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclohexyl]methanol

[1-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclohexyl]methanol (PubChem CID 115683825) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is [1-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclohexyl]methanol
PubChem CID115683825
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name[1-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclohexyl]methanol
SMILESCOc1ccc(OC)c(CNCC2(CO)CCCCC2)c1
InChIInChI=1S/C17H27NO3/c1-20-15-6-7-16(21-2)14(10-15)11-18-12-17(13-19)8-4-3-5-9-17/h6-7,10,18-19H,3-5,8-9,11-13H2,1-2H3
InChIKeyDZFUKAUMCMXZTK-UHFFFAOYSA-N
XLogP2.74
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [1-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclohexyl]methanol with MolForge

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Related Compounds

[1-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]cyclopentyl]methanol
CID 115358964
[1-[[(2-methoxyphenyl)methylamino]methyl]cyclopentyl]methanol
CID 115358929
[1-[[(3,4-dimethoxyphenyl)methylamino]methyl]cyclopentyl]methanol
CID 115358427
1-(2,5-dimethoxyphenyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 80527898
1-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclopropane-1-carbonitrile
CID 115242210
1-[[(2,4-dimethoxyphenyl)methylamino]methyl]cycloheptan-1-ol
CID 63362793
1-(5-chloro-2-methoxyphenyl)-N-[[1-(chloromethyl)cyclopentyl]methyl]methanamine
CID 113294642
[1-[[(4-methoxy-6-methyl-2-pyridinyl)methylamino]methyl]cyclohexyl]methanol
CID 115924168
[1-[[1-(2,4-dimethoxyphenyl)ethylamino]methyl]cyclopentyl]methanol
CID 115358422
2-[(2,5-dimethoxyphenyl)methylamino]acetic acid
CID 43135095
[1-[[(2,4,5-trimethylphenyl)methylamino]methyl]cyclobutyl]methanol
CID 115246948
5-bromo-4-[[[1-(hydroxymethyl)cyclopropyl]methylamino]methyl]-2-methoxyphenol
CID 111579393

Frequently Asked Questions

What is the IUPAC name of [1-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclohexyl]methanol?
The IUPAC name of [1-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclohexyl]methanol (CID 115683825) is [1-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclohexyl]methanol is COc1ccc(OC)c(CNCC2(CO)CCCCC2)c1.
What is the InChIKey of [1-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclohexyl]methanol?
The InChIKey is DZFUKAUMCMXZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-20-15-6-7-16(21-2)14(10-15)11-18-12-17(13-19)8-4-3-5-9-17/h6-7,10,18-19H,3-5,8-9,11-13H2,1-2H3.
What are the key properties of [1-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclohexyl]methanol?
[1-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclohexyl]methanol has a molecular weight of 293.41 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 115683825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).