1-(4-chloro-2-methylanilino)-2,3-dihydro-1H-inden-4-ol

C16H16ClNO — CID 43637031

IUPAC1-(4-chloro-2-methylanilino)-2,3-dihydro-1H-inden-4-ol
SMILESCc1cc(Cl)ccc1NC1CCc2c(O)cccc21
InChIInChI=1S/C16H16ClNO/c1-10-9-11(17)5-7-14(10)18-15-8-6-13-12(15)3-2-4-16(13)19/h2-5,7,9,15,18-19H,6,8H2,1H3
InChIKeyXWQIQJCJQFRJRU-UHFFFAOYSA-N
MW273.76 g/mol
LogP4.45
Rot. Bonds2

About 1-(4-chloro-2-methylanilino)-2,3-dihydro-1H-inden-4-ol

1-(4-chloro-2-methylanilino)-2,3-dihydro-1H-inden-4-ol (PubChem CID 43637031) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is 1-(4-chloro-2-methylanilino)-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name1-(4-chloro-2-methylanilino)-2,3-dihydro-1H-inden-4-ol
PubChem CID43637031
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC Name1-(4-chloro-2-methylanilino)-2,3-dihydro-1H-inden-4-ol
SMILESCc1cc(Cl)ccc1NC1CCc2c(O)cccc21
InChIInChI=1S/C16H16ClNO/c1-10-9-11(17)5-7-14(10)18-15-8-6-13-12(15)3-2-4-16(13)19/h2-5,7,9,15,18-19H,6,8H2,1H3
InChIKeyXWQIQJCJQFRJRU-UHFFFAOYSA-N
XLogP4.45
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(4-chloro-2-methylanilino)-2,3-dihydro-1H-inden-4-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-(4-chloro-2-fluoroanilino)-2,3-dihydro-1H-inden-4-ol
CID 43716642
4-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-3-methylbenzoic acid
CID 43736148
1-(2-chloro-5-fluoroanilino)-2,3-dihydro-1H-inden-4-ol
CID 107527595
1-(4-hydroxy-2-methylanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682398
N-(4-chloro-2-methylphenyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
CID 43766534
3-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-2-methylbenzamide
CID 43694186
1-[(5-methylpyrimidin-2-yl)amino]-2,3-dihydro-1H-inden-4-ol
CID 133403593
1-(2-bromo-5-fluoroanilino)-2,3-dihydro-1H-inden-4-ol
CID 107633285
2-chloro-N-(4-chloro-2-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82686147
4-fluoro-N-(2-methyl-4-nitrophenyl)-2,3-dihydro-1H-inden-1-amine
CID 83065489
1-(3,5-difluoroanilino)-2,3-dihydro-1H-inden-4-ol
CID 43637015
N-(5-bromo-4-fluoro-2-methylphenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 107591170

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methylanilino)-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 1-(4-chloro-2-methylanilino)-2,3-dihydro-1H-inden-4-ol (CID 43637031) is 1-(4-chloro-2-methylanilino)-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 1-(4-chloro-2-methylanilino)-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 1-(4-chloro-2-methylanilino)-2,3-dihydro-1H-inden-4-ol is Cc1cc(Cl)ccc1NC1CCc2c(O)cccc21.
What is the InChIKey of 1-(4-chloro-2-methylanilino)-2,3-dihydro-1H-inden-4-ol?
The InChIKey is XWQIQJCJQFRJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO/c1-10-9-11(17)5-7-14(10)18-15-8-6-13-12(15)3-2-4-16(13)19/h2-5,7,9,15,18-19H,6,8H2,1H3.
What are the key properties of 1-(4-chloro-2-methylanilino)-2,3-dihydro-1H-inden-4-ol?
1-(4-chloro-2-methylanilino)-2,3-dihydro-1H-inden-4-ol has a molecular weight of 273.76 g/mol, XLogP of 4.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methylanilino)-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 43637031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).