1-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]-4-ethylcyclohexan-1-ol

C17H26ClNO2 — CID 65116363

IUPAC1-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)(CNCc2cc(Cl)ccc2OC)CC1
InChIInChI=1S/C17H26ClNO2/c1-3-13-6-8-17(20,9-7-13)12-19-11-14-10-15(18)4-5-16(14)21-2/h4-5,10,13,19-20H,3,6-9,11-12H2,1-2H3
InChIKeyWFTQGTXRKHXIOI-UHFFFAOYSA-N
MW311.85 g/mol
LogP3.77
Rot. Bonds6

About 1-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]-4-ethylcyclohexan-1-ol

1-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]-4-ethylcyclohexan-1-ol (PubChem CID 65116363) has the molecular formula C17H26ClNO2 and a molecular weight of 311.85 g/mol. Its IUPAC name is 1-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]-4-ethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]-4-ethylcyclohexan-1-ol
PubChem CID65116363
Molecular FormulaC17H26ClNO2
Molecular Weight311.85 g/mol
Exact Mass311.17
IUPAC Name1-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)(CNCc2cc(Cl)ccc2OC)CC1
InChIInChI=1S/C17H26ClNO2/c1-3-13-6-8-17(20,9-7-13)12-19-11-14-10-15(18)4-5-16(14)21-2/h4-5,10,13,19-20H,3,6-9,11-12H2,1-2H3
InChIKeyWFTQGTXRKHXIOI-UHFFFAOYSA-N
XLogP3.77
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.85
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]-4-ethylcyclohexan-1-ol with MolForge

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Related Compounds

1-[[(2-methoxy-5-methylphenyl)methylamino]methyl]-4-methylcyclohexan-1-ol
CID 65115646
1-[[(2-chloro-4-methylphenyl)methylamino]methyl]-4-ethylcyclohexan-1-ol
CID 106862776
1-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]cyclopropane-1-carbonitrile
CID 115242214
1-(5-chloro-2-methoxyphenyl)-N-[[1-(chloromethyl)cyclopentyl]methyl]methanamine
CID 113294642
1-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]cyclopropane-1-carboxylic acid
CID 115242903
[1-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]cyclopentyl]methanol
CID 115358964
N-[(5-chloro-2-methoxyphenyl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine
CID 60855864
N-[(5-chloro-2-methoxyphenyl)methyl]-2-cyclohexylethanamine
CID 63450398
1-[[(3-bromo-4-fluorophenyl)methylamino]methyl]-4-ethylcyclohexan-1-ol
CID 65116216
3-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699903
4-ethyl-1-[[(3,4,5-trifluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 65115940
1-[[(2,4,5-trimethoxyphenyl)methylamino]methyl]cyclobutan-1-ol
CID 115621533

Frequently Asked Questions

What is the IUPAC name of 1-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]-4-ethylcyclohexan-1-ol?
The IUPAC name of 1-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]-4-ethylcyclohexan-1-ol (CID 65116363) is 1-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]-4-ethylcyclohexan-1-ol.
What is the SMILES notation for 1-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]-4-ethylcyclohexan-1-ol?
The canonical SMILES for 1-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]-4-ethylcyclohexan-1-ol is CCC1CCC(O)(CNCc2cc(Cl)ccc2OC)CC1.
What is the InChIKey of 1-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]-4-ethylcyclohexan-1-ol?
The InChIKey is WFTQGTXRKHXIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO2/c1-3-13-6-8-17(20,9-7-13)12-19-11-14-10-15(18)4-5-16(14)21-2/h4-5,10,13,19-20H,3,6-9,11-12H2,1-2H3.
What are the key properties of 1-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]-4-ethylcyclohexan-1-ol?
1-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]-4-ethylcyclohexan-1-ol has a molecular weight of 311.85 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]-4-ethylcyclohexan-1-ol is sourced from PubChem (CID 65116363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).