2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-ol;hydrochloride

C20H26ClNO2 — CID 11725292

IUPAC2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-ol;hydrochloride
SMILESCOc1cccc(C2(O)c3ccccc3CCC2CN(C)C)c1.Cl
InChIInChI=1S/C20H25NO2.ClH/c1-21(2)14-17-12-11-15-7-4-5-10-19(15)20(17,22)16-8-6-9-18(13-16)23-3;/h4-10,13,17,22H,11-12,14H2,1-3H3;1H
InChIKeySQZGNYYLANPCLX-UHFFFAOYSA-N
MW347.89 g/mol
LogP3.48
Rot. Bonds4

About 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-ol;hydrochloride

2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-ol;hydrochloride (PubChem CID 11725292) has the molecular formula C20H26ClNO2 and a molecular weight of 347.89 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-ol;hydrochloride.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-ol;hydrochloride
PubChem CID11725292
Molecular FormulaC20H26ClNO2
Molecular Weight347.89 g/mol
Exact Mass347.17
IUPAC Name2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-ol;hydrochloride
SMILESCOc1cccc(C2(O)c3ccccc3CCC2CN(C)C)c1.Cl
InChIInChI=1S/C20H25NO2.ClH/c1-21(2)14-17-12-11-15-7-4-5-10-19(15)20(17,22)16-8-6-9-18(13-16)23-3;/h4-10,13,17,22H,11-12,14H2,1-3H3;1H
InChIKeySQZGNYYLANPCLX-UHFFFAOYSA-N
XLogP3.48
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.89
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-6-phenyl-3,4-dihydro-2H-naphthalen-1-ol
CID 127043062
trans-(3R,4S)-4-[(dimethylamino)methyl]-3-hydroxy-3-(3-methoxyphenyl)cyclohexan-1-one
CID 67309947
cis-(1S,2S)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol;hydrochloride
CID 10017651
2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol
CID 69339801
(1S,2S,5S)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-5-methylcyclohexan-1-ol;hydrochloride
CID 70216938
2-[(dimethylamino)methyl]-5-methoxy-1-pyridin-3-yl-2,3-dihydroinden-1-ol;hydrochloride
CID 69449705
3-[(dimethylamino)methyl]-2-(3-methoxyphenyl)bicyclo[4.2.0]octan-2-ol
CID 123593533
5-(3-methoxyphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 60795066
2-benzyl-6-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol
CID 22221697
2-[(dimethylamino)methyl]-1-(2-methoxyphenyl)-6-[(3-methoxyphenyl)methylidene]cyclohexan-1-ol
CID 69340248
(3S,4S)-4-[(dimethylamino)methyl]-3-(3-methoxyphenyl)-2,4-dihydro-1H-acridin-3-ol
CID 54119499
(7E)-2-[(dimethylamino)methyl]-7-[(3-methoxyphenyl)methylidene]-1-(3-methylphenyl)cycloheptan-1-ol
CID 69338708

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-ol;hydrochloride?
The IUPAC name of 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-ol;hydrochloride (CID 11725292) is 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-ol;hydrochloride.
What is the SMILES notation for 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-ol;hydrochloride?
The canonical SMILES for 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-ol;hydrochloride is COc1cccc(C2(O)c3ccccc3CCC2CN(C)C)c1.Cl.
What is the InChIKey of 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-ol;hydrochloride?
The InChIKey is SQZGNYYLANPCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2.ClH/c1-21(2)14-17-12-11-15-7-4-5-10-19(15)20(17,22)16-8-6-9-18(13-16)23-3;/h4-10,13,17,22H,11-12,14H2,1-3H3;1H.
What are the key properties of 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-ol;hydrochloride?
2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-ol;hydrochloride has a molecular weight of 347.89 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-ol;hydrochloride is sourced from PubChem (CID 11725292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).