2-[(dimethylamino)methyl]-5-methoxy-1-pyridin-3-yl-2,3-dihydroinden-1-ol;hydrochloride

C18H23ClN2O2 — CID 69449705

IUPAC2-[(dimethylamino)methyl]-5-methoxy-1-pyridin-3-yl-2,3-dihydroinden-1-ol;hydrochloride
SMILESCOc1ccc2c(c1)CC(CN(C)C)C2(O)c1cccnc1.Cl
InChIInChI=1S/C18H22N2O2.ClH/c1-20(2)12-15-9-13-10-16(22-3)6-7-17(13)18(15,21)14-5-4-8-19-11-14;/h4-8,10-11,15,21H,9,12H2,1-3H3;1H
InChIKeyWSZXXKMDHROGHF-UHFFFAOYSA-N
MW334.85 g/mol
LogP2.48
Rot. Bonds4

About 2-[(dimethylamino)methyl]-5-methoxy-1-pyridin-3-yl-2,3-dihydroinden-1-ol;hydrochloride

2-[(dimethylamino)methyl]-5-methoxy-1-pyridin-3-yl-2,3-dihydroinden-1-ol;hydrochloride (PubChem CID 69449705) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-5-methoxy-1-pyridin-3-yl-2,3-dihydroinden-1-ol;hydrochloride.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-5-methoxy-1-pyridin-3-yl-2,3-dihydroinden-1-ol;hydrochloride
PubChem CID69449705
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC Name2-[(dimethylamino)methyl]-5-methoxy-1-pyridin-3-yl-2,3-dihydroinden-1-ol;hydrochloride
SMILESCOc1ccc2c(c1)CC(CN(C)C)C2(O)c1cccnc1.Cl
InChIInChI=1S/C18H22N2O2.ClH/c1-20(2)12-15-9-13-10-16(22-3)6-7-17(13)18(15,21)14-5-4-8-19-11-14;/h4-8,10-11,15,21H,9,12H2,1-3H3;1H
InChIKeyWSZXXKMDHROGHF-UHFFFAOYSA-N
XLogP2.48
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(dimethylamino)methyl]-1-pyridin-3-yl-5-(trifluoromethoxy)-2,3-dihydroinden-1-ol;5-(trifluoromethoxy)-2,3-dihydroinden-1-one;hydrochloride
CID 158057262
2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-ol;hydrochloride
CID 11725292
(1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-6-phenyl-3,4-dihydro-2H-naphthalen-1-ol
CID 127043062
4-[(dimethylamino)methyl]-1,1-dioxo-5-pyridin-3-yl-3,4-dihydro-2H-1lambda6-benzothiepin-5-ol
CID 11660248
cis-(1S,2S)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol;hydrochloride
CID 10017651
3-[(dimethylamino)methyl]-2-(3-methoxyphenyl)bicyclo[4.2.0]octan-2-ol
CID 123593533
(1S,2S,5S)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-5-methylcyclohexan-1-ol;hydrochloride
CID 70216938
1-(6-methoxy-3-pyridin-3-yl-1H-inden-2-yl)-N,N-dimethylmethanamine
CID 11522580
trans-(3R,4S)-3-[(dimethylamino)methyl]-4-hydroxy-4-(3-methoxyphenyl)cyclohexan-1-one
CID 54519657
(3R,4S)-3-[(dimethylamino)methyl]-4-(3-methoxyphenyl)-1-oxothian-4-ol;hydrochloride
CID 3088837
7-methoxy-N-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510305
trans-(3R,4S)-4-[(dimethylamino)methyl]-3-hydroxy-3-(3-methoxyphenyl)cyclohexan-1-one
CID 67309947

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-5-methoxy-1-pyridin-3-yl-2,3-dihydroinden-1-ol;hydrochloride?
The IUPAC name of 2-[(dimethylamino)methyl]-5-methoxy-1-pyridin-3-yl-2,3-dihydroinden-1-ol;hydrochloride (CID 69449705) is 2-[(dimethylamino)methyl]-5-methoxy-1-pyridin-3-yl-2,3-dihydroinden-1-ol;hydrochloride.
What is the SMILES notation for 2-[(dimethylamino)methyl]-5-methoxy-1-pyridin-3-yl-2,3-dihydroinden-1-ol;hydrochloride?
The canonical SMILES for 2-[(dimethylamino)methyl]-5-methoxy-1-pyridin-3-yl-2,3-dihydroinden-1-ol;hydrochloride is COc1ccc2c(c1)CC(CN(C)C)C2(O)c1cccnc1.Cl.
What is the InChIKey of 2-[(dimethylamino)methyl]-5-methoxy-1-pyridin-3-yl-2,3-dihydroinden-1-ol;hydrochloride?
The InChIKey is WSZXXKMDHROGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2.ClH/c1-20(2)12-15-9-13-10-16(22-3)6-7-17(13)18(15,21)14-5-4-8-19-11-14;/h4-8,10-11,15,21H,9,12H2,1-3H3;1H.
What are the key properties of 2-[(dimethylamino)methyl]-5-methoxy-1-pyridin-3-yl-2,3-dihydroinden-1-ol;hydrochloride?
2-[(dimethylamino)methyl]-5-methoxy-1-pyridin-3-yl-2,3-dihydroinden-1-ol;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-5-methoxy-1-pyridin-3-yl-2,3-dihydroinden-1-ol;hydrochloride is sourced from PubChem (CID 69449705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).