1-[[(2,3-dimethoxyphenyl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol

C20H25NO3 — CID 111110350

IUPAC1-[[(2,3-dimethoxyphenyl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol
SMILESCOc1cccc(CNCC2(O)CCCc3ccccc32)c1OC
InChIInChI=1S/C20H25NO3/c1-23-18-11-5-8-16(19(18)24-2)13-21-14-20(22)12-6-9-15-7-3-4-10-17(15)20/h3-5,7-8,10-11,21-22H,6,9,12-14H2,1-2H3
InChIKeyITFFHPMKMKGLOS-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.02
Rot. Bonds6

About 1-[[(2,3-dimethoxyphenyl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol

1-[[(2,3-dimethoxyphenyl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol (PubChem CID 111110350) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 1-[[(2,3-dimethoxyphenyl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol.

Molecular Properties

Compound Name1-[[(2,3-dimethoxyphenyl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol
PubChem CID111110350
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name1-[[(2,3-dimethoxyphenyl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol
SMILESCOc1cccc(CNCC2(O)CCCc3ccccc32)c1OC
InChIInChI=1S/C20H25NO3/c1-23-18-11-5-8-16(19(18)24-2)13-21-14-20(22)12-6-9-15-7-3-4-10-17(15)20/h3-5,7-8,10-11,21-22H,6,9,12-14H2,1-2H3
InChIKeyITFFHPMKMKGLOS-UHFFFAOYSA-N
XLogP3.02
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[(2,3-dimethoxyphenyl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol?
The IUPAC name of 1-[[(2,3-dimethoxyphenyl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol (CID 111110350) is 1-[[(2,3-dimethoxyphenyl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol.
What is the SMILES notation for 1-[[(2,3-dimethoxyphenyl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol?
The canonical SMILES for 1-[[(2,3-dimethoxyphenyl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol is COc1cccc(CNCC2(O)CCCc3ccccc32)c1OC.
What is the InChIKey of 1-[[(2,3-dimethoxyphenyl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol?
The InChIKey is ITFFHPMKMKGLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-23-18-11-5-8-16(19(18)24-2)13-21-14-20(22)12-6-9-15-7-3-4-10-17(15)20/h3-5,7-8,10-11,21-22H,6,9,12-14H2,1-2H3.
What are the key properties of 1-[[(2,3-dimethoxyphenyl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol?
1-[[(2,3-dimethoxyphenyl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol has a molecular weight of 327.42 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2,3-dimethoxyphenyl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol is sourced from PubChem (CID 111110350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).