4-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propoxy]-2,3-dihydro-1H-inden-1-ol

C22H27NO3 — CID 14750994

IUPAC4-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propoxy]-2,3-dihydro-1H-inden-1-ol
SMILESOC(CNC1CCc2ccccc2C1)COc1cccc2c1CCC2O
InChIInChI=1S/C22H27NO3/c24-18(13-23-17-9-8-15-4-1-2-5-16(15)12-17)14-26-22-7-3-6-19-20(22)10-11-21(19)25/h1-7,17-18,21,23-25H,8-14H2
InChIKeyZNNSDVCCGFFAKZ-UHFFFAOYSA-N
MW353.46 g/mol
LogP2.55
Rot. Bonds6

About 4-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propoxy]-2,3-dihydro-1H-inden-1-ol

4-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propoxy]-2,3-dihydro-1H-inden-1-ol (PubChem CID 14750994) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is 4-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propoxy]-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name4-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propoxy]-2,3-dihydro-1H-inden-1-ol
PubChem CID14750994
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Name4-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propoxy]-2,3-dihydro-1H-inden-1-ol
SMILESOC(CNC1CCc2ccccc2C1)COc1cccc2c1CCC2O
InChIInChI=1S/C22H27NO3/c24-18(13-23-17-9-8-15-4-1-2-5-16(15)12-17)14-26-22-7-3-6-19-20(22)10-11-21(19)25/h1-7,17-18,21,23-25H,8-14H2
InChIKeyZNNSDVCCGFFAKZ-UHFFFAOYSA-N
XLogP2.55
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propoxy]-2,3-dihydro-1H-inden-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-methoxyphenoxy)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol
CID 14751044
5-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 14750950
1-(1,2-benzothiazol-4-yloxy)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol;hydrochloride
CID 14750999
1-[(3-methyl-1,2-benzoxazol-4-yl)oxy]-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol;hydrochloride
CID 14751001
4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-2,3-dihydro-1H-inden-1-ol
CID 66419924
6-[[2-hydroxy-3-(2-prop-2-ynoxyphenoxy)propyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride
CID 14751073
4-(3-cyclopentyl-2-hydroxypropoxy)-2,3-dihydro-1H-inden-1-ol
CID 103158985
5-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propoxy]-8-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one
CID 14750939
1-(dimethylamino)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol
CID 62305455
3-[2-[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropoxy]phenyl]propanamide
CID 139825452
7-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propoxy]-4-methylchromen-2-one
CID 14750948
(1R)-4-(cyclopropylmethoxy)-2,3-dihydro-1H-inden-1-ol
CID 95012649

Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propoxy]-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 4-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propoxy]-2,3-dihydro-1H-inden-1-ol (CID 14750994) is 4-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propoxy]-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 4-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propoxy]-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 4-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propoxy]-2,3-dihydro-1H-inden-1-ol is OC(CNC1CCc2ccccc2C1)COc1cccc2c1CCC2O.
What is the InChIKey of 4-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propoxy]-2,3-dihydro-1H-inden-1-ol?
The InChIKey is ZNNSDVCCGFFAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3/c24-18(13-23-17-9-8-15-4-1-2-5-16(15)12-17)14-26-22-7-3-6-19-20(22)10-11-21(19)25/h1-7,17-18,21,23-25H,8-14H2.
What are the key properties of 4-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propoxy]-2,3-dihydro-1H-inden-1-ol?
4-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propoxy]-2,3-dihydro-1H-inden-1-ol has a molecular weight of 353.46 g/mol, XLogP of 2.55, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propoxy]-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 14750994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).