[2-[[(2-methoxynaphthalen-1-yl)methylamino]methyl]cyclohexyl]methanol

C20H27NO2 — CID 83944723

IUPAC[2-[[(2-methoxynaphthalen-1-yl)methylamino]methyl]cyclohexyl]methanol
SMILESCOc1ccc2ccccc2c1CNCC1CCCCC1CO
InChIInChI=1S/C20H27NO2/c1-23-20-11-10-15-6-4-5-9-18(15)19(20)13-21-12-16-7-2-3-8-17(16)14-22/h4-6,9-11,16-17,21-22H,2-3,7-8,12-14H2,1H3
InChIKeyLCHGJBFIOPGGMN-UHFFFAOYSA-N
MW313.44 g/mol
LogP3.74
Rot. Bonds6

About [2-[[(2-methoxynaphthalen-1-yl)methylamino]methyl]cyclohexyl]methanol

[2-[[(2-methoxynaphthalen-1-yl)methylamino]methyl]cyclohexyl]methanol (PubChem CID 83944723) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is [2-[[(2-methoxynaphthalen-1-yl)methylamino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[[(2-methoxynaphthalen-1-yl)methylamino]methyl]cyclohexyl]methanol
PubChem CID83944723
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC Name[2-[[(2-methoxynaphthalen-1-yl)methylamino]methyl]cyclohexyl]methanol
SMILESCOc1ccc2ccccc2c1CNCC1CCCCC1CO
InChIInChI=1S/C20H27NO2/c1-23-20-11-10-15-6-4-5-9-18(15)19(20)13-21-12-16-7-2-3-8-17(16)14-22/h4-6,9-11,16-17,21-22H,2-3,7-8,12-14H2,1H3
InChIKeyLCHGJBFIOPGGMN-UHFFFAOYSA-N
XLogP3.74
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[[(2-methoxynaphthalen-1-yl)methylamino]methyl]cyclohexyl]methanol?
The IUPAC name of [2-[[(2-methoxynaphthalen-1-yl)methylamino]methyl]cyclohexyl]methanol (CID 83944723) is [2-[[(2-methoxynaphthalen-1-yl)methylamino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [2-[[(2-methoxynaphthalen-1-yl)methylamino]methyl]cyclohexyl]methanol?
The canonical SMILES for [2-[[(2-methoxynaphthalen-1-yl)methylamino]methyl]cyclohexyl]methanol is COc1ccc2ccccc2c1CNCC1CCCCC1CO.
What is the InChIKey of [2-[[(2-methoxynaphthalen-1-yl)methylamino]methyl]cyclohexyl]methanol?
The InChIKey is LCHGJBFIOPGGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2/c1-23-20-11-10-15-6-4-5-9-18(15)19(20)13-21-12-16-7-2-3-8-17(16)14-22/h4-6,9-11,16-17,21-22H,2-3,7-8,12-14H2,1H3.
What are the key properties of [2-[[(2-methoxynaphthalen-1-yl)methylamino]methyl]cyclohexyl]methanol?
[2-[[(2-methoxynaphthalen-1-yl)methylamino]methyl]cyclohexyl]methanol has a molecular weight of 313.44 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(2-methoxynaphthalen-1-yl)methylamino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 83944723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).