3-amino-1-(4-methoxyphenyl)-2,3-dihydroinden-1-ol

C16H17NO2 — CID 107089666

IUPAC3-amino-1-(4-methoxyphenyl)-2,3-dihydroinden-1-ol
SMILESCOc1ccc(C2(O)CC(N)c3ccccc32)cc1
InChIInChI=1S/C16H17NO2/c1-19-12-8-6-11(7-9-12)16(18)10-15(17)13-4-2-3-5-14(13)16/h2-9,15,18H,10,17H2,1H3
InChIKeyBLLNCUZFHJLBRY-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.33
Rot. Bonds2

About 3-amino-1-(4-methoxyphenyl)-2,3-dihydroinden-1-ol

3-amino-1-(4-methoxyphenyl)-2,3-dihydroinden-1-ol (PubChem CID 107089666) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-amino-1-(4-methoxyphenyl)-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name3-amino-1-(4-methoxyphenyl)-2,3-dihydroinden-1-ol
PubChem CID107089666
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name3-amino-1-(4-methoxyphenyl)-2,3-dihydroinden-1-ol
SMILESCOc1ccc(C2(O)CC(N)c3ccccc32)cc1
InChIInChI=1S/C16H17NO2/c1-19-12-8-6-11(7-9-12)16(18)10-15(17)13-4-2-3-5-14(13)16/h2-9,15,18H,10,17H2,1H3
InChIKeyBLLNCUZFHJLBRY-UHFFFAOYSA-N
XLogP2.33
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(3-fluoro-4-methylphenyl)-2,3-dihydroinden-1-ol
CID 107128224
3-amino-1-(1H-indol-5-yl)-2,3-dihydroinden-1-ol
CID 107089694
3-amino-1-(2-methoxy-5-methylphenyl)-2,3-dihydroinden-1-ol
CID 107089821
3-amino-1-quinolin-3-yl-2,3-dihydroinden-1-ol
CID 107089667
3-amino-2,3-dihydroindene-1,1-diol
CID 70048051
3-amino-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2,3-dihydroinden-1-ol
CID 107089583
3-amino-1-(2,6-difluoro-3-methylphenyl)-2,3-dihydroinden-1-ol
CID 107089749
1-(4-aminophenyl)-3-(4-methoxyphenyl)-2,3-dihydroindene-1-carboxylic acid
CID 174272459
4-hydroxy-4-(4-methoxyphenyl)-2,3-dihydronaphthalen-1-one
CID 13408691
3-(4-methoxyphenyl)-2-methylidene-1H-indol-3-ol
CID 144593400
3-amino-1-(4,4-dimethylpentyl)-2,3-dihydroinden-1-ol
CID 114209780
4-fluoro-1-(4-methoxyphenyl)-2,3-dihydroinden-1-ol
CID 83069885

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-methoxyphenyl)-2,3-dihydroinden-1-ol?
The IUPAC name of 3-amino-1-(4-methoxyphenyl)-2,3-dihydroinden-1-ol (CID 107089666) is 3-amino-1-(4-methoxyphenyl)-2,3-dihydroinden-1-ol.
What is the SMILES notation for 3-amino-1-(4-methoxyphenyl)-2,3-dihydroinden-1-ol?
The canonical SMILES for 3-amino-1-(4-methoxyphenyl)-2,3-dihydroinden-1-ol is COc1ccc(C2(O)CC(N)c3ccccc32)cc1.
What is the InChIKey of 3-amino-1-(4-methoxyphenyl)-2,3-dihydroinden-1-ol?
The InChIKey is BLLNCUZFHJLBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-19-12-8-6-11(7-9-12)16(18)10-15(17)13-4-2-3-5-14(13)16/h2-9,15,18H,10,17H2,1H3.
What are the key properties of 3-amino-1-(4-methoxyphenyl)-2,3-dihydroinden-1-ol?
3-amino-1-(4-methoxyphenyl)-2,3-dihydroinden-1-ol has a molecular weight of 255.32 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-methoxyphenyl)-2,3-dihydroinden-1-ol is sourced from PubChem (CID 107089666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).