2-[[(3-ethoxy-4-methoxyphenyl)methyl-methylamino]methyl]cyclohexan-1-ol

C18H29NO3 — CID 110011425

IUPAC2-[[(3-ethoxy-4-methoxyphenyl)methyl-methylamino]methyl]cyclohexan-1-ol
SMILESCCOc1cc(CN(C)CC2CCCCC2O)ccc1OC
InChIInChI=1S/C18H29NO3/c1-4-22-18-11-14(9-10-17(18)21-3)12-19(2)13-15-7-5-6-8-16(15)20/h9-11,15-16,20H,4-8,12-13H2,1-3H3
InChIKeyILWPFBOOCLKULZ-UHFFFAOYSA-N
MW307.43 g/mol
LogP3.08
Rot. Bonds7

About 2-[[(3-ethoxy-4-methoxyphenyl)methyl-methylamino]methyl]cyclohexan-1-ol

2-[[(3-ethoxy-4-methoxyphenyl)methyl-methylamino]methyl]cyclohexan-1-ol (PubChem CID 110011425) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is 2-[[(3-ethoxy-4-methoxyphenyl)methyl-methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[(3-ethoxy-4-methoxyphenyl)methyl-methylamino]methyl]cyclohexan-1-ol
PubChem CID110011425
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC Name2-[[(3-ethoxy-4-methoxyphenyl)methyl-methylamino]methyl]cyclohexan-1-ol
SMILESCCOc1cc(CN(C)CC2CCCCC2O)ccc1OC
InChIInChI=1S/C18H29NO3/c1-4-22-18-11-14(9-10-17(18)21-3)12-19(2)13-15-7-5-6-8-16(15)20/h9-11,15-16,20H,4-8,12-13H2,1-3H3
InChIKeyILWPFBOOCLKULZ-UHFFFAOYSA-N
XLogP3.08
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(4-methoxy-3-nitrophenyl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 109397985
1-(3-ethoxy-4-methoxyphenyl)-N,N-dimethylmethanamine
CID 142063671
4-[[cyclopentylmethyl(methyl)amino]methyl]-2-ethoxyphenol
CID 82980831
trans-(1S,2S)-2-[[(3-chloro-4,5-dimethoxyphenyl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 97146325
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-methylacetamide
CID 109397833
N-[(2-hydroxycyclohexyl)methyl]-2-(3-methoxy-4-methylphenyl)-N-methylacetamide
CID 110003368
2-[[(4-bromophenyl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 55094675
2-ethoxy-4-[(2-hydroxycyclohexyl)methyl]phenol
CID 82185867
1-(3-ethoxy-4-methoxyphenyl)-N-methyl-N-[[5-methylsulfanyl-4-[[(2R)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]methyl]methanamine
CID 42345654
N-cyclopentyl-N-[(3-ethoxy-4-methoxyphenyl)methyl]-1,3-dimethylpyrazole-4-carboxamide
CID 74238255
1-(azetidin-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylmethanamine
CID 115207629
[2-ethoxy-5-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]phenyl]methanol
CID 99940029

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-ethoxy-4-methoxyphenyl)methyl-methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[(3-ethoxy-4-methoxyphenyl)methyl-methylamino]methyl]cyclohexan-1-ol (CID 110011425) is 2-[[(3-ethoxy-4-methoxyphenyl)methyl-methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[(3-ethoxy-4-methoxyphenyl)methyl-methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[(3-ethoxy-4-methoxyphenyl)methyl-methylamino]methyl]cyclohexan-1-ol is CCOc1cc(CN(C)CC2CCCCC2O)ccc1OC.
What is the InChIKey of 2-[[(3-ethoxy-4-methoxyphenyl)methyl-methylamino]methyl]cyclohexan-1-ol?
The InChIKey is ILWPFBOOCLKULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO3/c1-4-22-18-11-14(9-10-17(18)21-3)12-19(2)13-15-7-5-6-8-16(15)20/h9-11,15-16,20H,4-8,12-13H2,1-3H3.
What are the key properties of 2-[[(3-ethoxy-4-methoxyphenyl)methyl-methylamino]methyl]cyclohexan-1-ol?
2-[[(3-ethoxy-4-methoxyphenyl)methyl-methylamino]methyl]cyclohexan-1-ol has a molecular weight of 307.43 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-ethoxy-4-methoxyphenyl)methyl-methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 110011425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).