1-(2,5-dichlorophenyl)-2-(2,3-dihydro-1H-inden-5-ylamino)ethanol

C17H17Cl2NO — CID 60896402

IUPAC1-(2,5-dichlorophenyl)-2-(2,3-dihydro-1H-inden-5-ylamino)ethanol
SMILESOC(CNc1ccc2c(c1)CCC2)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H17Cl2NO/c18-13-5-7-16(19)15(9-13)17(21)10-20-14-6-4-11-2-1-3-12(11)8-14/h4-9,17,20-21H,1-3,10H2
InChIKeyHTCDURCZZURCNK-UHFFFAOYSA-N
MW322.24 g/mol
LogP4.63
Rot. Bonds4

About 1-(2,5-dichlorophenyl)-2-(2,3-dihydro-1H-inden-5-ylamino)ethanol

1-(2,5-dichlorophenyl)-2-(2,3-dihydro-1H-inden-5-ylamino)ethanol (PubChem CID 60896402) has the molecular formula C17H17Cl2NO and a molecular weight of 322.24 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-2-(2,3-dihydro-1H-inden-5-ylamino)ethanol.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-2-(2,3-dihydro-1H-inden-5-ylamino)ethanol
PubChem CID60896402
Molecular FormulaC17H17Cl2NO
Molecular Weight322.24 g/mol
Exact Mass321.07
IUPAC Name1-(2,5-dichlorophenyl)-2-(2,3-dihydro-1H-inden-5-ylamino)ethanol
SMILESOC(CNc1ccc2c(c1)CCC2)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H17Cl2NO/c18-13-5-7-16(19)15(9-13)17(21)10-20-14-6-4-11-2-1-3-12(11)8-14/h4-9,17,20-21H,1-3,10H2
InChIKeyHTCDURCZZURCNK-UHFFFAOYSA-N
XLogP4.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.24
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dichlorophenyl)-2-(3-fluoro-4-methylanilino)ethanol
CID 60901653
1-(2,5-dichlorophenyl)-2-(3,5-dimethylanilino)ethanol
CID 60899526
1-(2,5-dichlorophenyl)-2-(3-iodoanilino)ethanol
CID 63489373
3-(5,6,7,8-tetrahydronaphthalen-2-ylamino)propane-1,2-diol
CID 115121860
N-[(5-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-amine
CID 114841362
2-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-3-methylbutan-1-ol
CID 115251818
2-(cyclopentylmethylamino)-1-(2,5-dichlorophenyl)ethanol
CID 60900468
5-[bromo-(2,5-dichlorophenyl)methyl]-2,3-dihydro-1H-indene
CID 63440957
1-(4-chlorophenyl)-2-(3,4-dichloroanilino)ethanol
CID 60724810
1-(diethylamino)-3-(2,3-dihydro-1H-inden-5-ylamino)propan-2-ol
CID 60898879
2-amino-1-(2,5-dichlorophenyl)ethanol
CID 18628108
2-[2-(cyclopenten-1-yl)ethylamino]-1-(2,5-dichlorophenyl)ethanol
CID 106174226

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-2-(2,3-dihydro-1H-inden-5-ylamino)ethanol?
The IUPAC name of 1-(2,5-dichlorophenyl)-2-(2,3-dihydro-1H-inden-5-ylamino)ethanol (CID 60896402) is 1-(2,5-dichlorophenyl)-2-(2,3-dihydro-1H-inden-5-ylamino)ethanol.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-2-(2,3-dihydro-1H-inden-5-ylamino)ethanol?
The canonical SMILES for 1-(2,5-dichlorophenyl)-2-(2,3-dihydro-1H-inden-5-ylamino)ethanol is OC(CNc1ccc2c(c1)CCC2)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-2-(2,3-dihydro-1H-inden-5-ylamino)ethanol?
The InChIKey is HTCDURCZZURCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO/c18-13-5-7-16(19)15(9-13)17(21)10-20-14-6-4-11-2-1-3-12(11)8-14/h4-9,17,20-21H,1-3,10H2.
What are the key properties of 1-(2,5-dichlorophenyl)-2-(2,3-dihydro-1H-inden-5-ylamino)ethanol?
1-(2,5-dichlorophenyl)-2-(2,3-dihydro-1H-inden-5-ylamino)ethanol has a molecular weight of 322.24 g/mol, XLogP of 4.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-2-(2,3-dihydro-1H-inden-5-ylamino)ethanol is sourced from PubChem (CID 60896402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).