[4-methoxy-1-(pyridin-3-ylmethylamino)-2,3-dihydroinden-1-yl]methanol

C17H20N2O2 — CID 166251189

IUPAC[4-methoxy-1-(pyridin-3-ylmethylamino)-2,3-dihydroinden-1-yl]methanol
SMILESCOc1cccc2c1CCC2(CO)NCc1cccnc1
InChIInChI=1S/C17H20N2O2/c1-21-16-6-2-5-15-14(16)7-8-17(15,12-20)19-11-13-4-3-9-18-10-13/h2-6,9-10,19-20H,7-8,11-12H2,1H3
InChIKeyLMVKWMSIOKDEJO-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.01
Rot. Bonds5

About [4-methoxy-1-(pyridin-3-ylmethylamino)-2,3-dihydroinden-1-yl]methanol

[4-methoxy-1-(pyridin-3-ylmethylamino)-2,3-dihydroinden-1-yl]methanol (PubChem CID 166251189) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is [4-methoxy-1-(pyridin-3-ylmethylamino)-2,3-dihydroinden-1-yl]methanol.

Molecular Properties

Compound Name[4-methoxy-1-(pyridin-3-ylmethylamino)-2,3-dihydroinden-1-yl]methanol
PubChem CID166251189
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name[4-methoxy-1-(pyridin-3-ylmethylamino)-2,3-dihydroinden-1-yl]methanol
SMILESCOc1cccc2c1CCC2(CO)NCc1cccnc1
InChIInChI=1S/C17H20N2O2/c1-21-16-6-2-5-15-14(16)7-8-17(15,12-20)19-11-13-4-3-9-18-10-13/h2-6,9-10,19-20H,7-8,11-12H2,1H3
InChIKeyLMVKWMSIOKDEJO-UHFFFAOYSA-N
XLogP2.01
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine chloride
CID 53350927
N-[(2-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine;oxalic acid
CID 17367682
2-[1-(pyridin-3-ylmethylamino)cyclobutyl]ethanol
CID 115673926
1-[(3-methoxy-4-methylphenyl)methyl]-3-(pyridin-3-ylmethyl)urea
CID 60569732
N-[(2-ethoxy-3-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine
CID 2997335
1-hydroxy-4-methoxy-2,3-dihydroindene-1-carboxylic acid
CID 18518702
7-methoxy-N-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510305
4-N-[(2-methoxyphenyl)methyl]-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112860055
1-N-[2-(2-methoxyphenyl)ethyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109055063
1-[2-(2,3-dimethoxyphenoxy)ethyl]-3-(pyridin-3-ylmethyl)urea
CID 112975469
N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-pyridin-3-ylmethanamine
CID 43406252
N-[(3,4-dimethoxyphenyl)methyl]-N'-(pyridin-3-ylmethyl)propanediamide
CID 108947614

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-1-(pyridin-3-ylmethylamino)-2,3-dihydroinden-1-yl]methanol?
The IUPAC name of [4-methoxy-1-(pyridin-3-ylmethylamino)-2,3-dihydroinden-1-yl]methanol (CID 166251189) is [4-methoxy-1-(pyridin-3-ylmethylamino)-2,3-dihydroinden-1-yl]methanol.
What is the SMILES notation for [4-methoxy-1-(pyridin-3-ylmethylamino)-2,3-dihydroinden-1-yl]methanol?
The canonical SMILES for [4-methoxy-1-(pyridin-3-ylmethylamino)-2,3-dihydroinden-1-yl]methanol is COc1cccc2c1CCC2(CO)NCc1cccnc1.
What is the InChIKey of [4-methoxy-1-(pyridin-3-ylmethylamino)-2,3-dihydroinden-1-yl]methanol?
The InChIKey is LMVKWMSIOKDEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-21-16-6-2-5-15-14(16)7-8-17(15,12-20)19-11-13-4-3-9-18-10-13/h2-6,9-10,19-20H,7-8,11-12H2,1H3.
What are the key properties of [4-methoxy-1-(pyridin-3-ylmethylamino)-2,3-dihydroinden-1-yl]methanol?
[4-methoxy-1-(pyridin-3-ylmethylamino)-2,3-dihydroinden-1-yl]methanol has a molecular weight of 284.36 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-1-(pyridin-3-ylmethylamino)-2,3-dihydroinden-1-yl]methanol is sourced from PubChem (CID 166251189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).