5,7-dimethyl-3-(octylamino)-3H-inden-4-ol;hydrochloride

C19H30ClNO — CID 67882682

IUPAC5,7-dimethyl-3-(octylamino)-3H-inden-4-ol;hydrochloride
SMILESCCCCCCCCNC1C=Cc2c(C)cc(C)c(O)c21.Cl
InChIInChI=1S/C19H29NO.ClH/c1-4-5-6-7-8-9-12-20-17-11-10-16-14(2)13-15(3)19(21)18(16)17;/h10-11,13,17,20-21H,4-9,12H2,1-3H3;1H
InChIKeyCBNXXYNBRFHGJP-UHFFFAOYSA-N
MW323.91 g/mol
LogP5.45
Rot. Bonds8

About 5,7-dimethyl-3-(octylamino)-3H-inden-4-ol;hydrochloride

5,7-dimethyl-3-(octylamino)-3H-inden-4-ol;hydrochloride (PubChem CID 67882682) has the molecular formula C19H30ClNO and a molecular weight of 323.91 g/mol. Its IUPAC name is 5,7-dimethyl-3-(octylamino)-3H-inden-4-ol;hydrochloride.

Molecular Properties

Compound Name5,7-dimethyl-3-(octylamino)-3H-inden-4-ol;hydrochloride
PubChem CID67882682
Molecular FormulaC19H30ClNO
Molecular Weight323.91 g/mol
Exact Mass323.20
IUPAC Name5,7-dimethyl-3-(octylamino)-3H-inden-4-ol;hydrochloride
SMILESCCCCCCCCNC1C=Cc2c(C)cc(C)c(O)c21.Cl
InChIInChI=1S/C19H29NO.ClH/c1-4-5-6-7-8-9-12-20-17-11-10-16-14(2)13-15(3)19(21)18(16)17;/h10-11,13,17,20-21H,4-9,12H2,1-3H3;1H
InChIKeyCBNXXYNBRFHGJP-UHFFFAOYSA-N
XLogP5.45
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.91
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 176520573
(1R,2S)-2-butyl-5,8-dimethyl-1,2-dihydronaphthalen-1-ol
CID 134945146
N-hexylcyclopenta-2,4-dien-1-amine
CID 101264535
(1R,2R,3R,6S)-6-(decylamino)cyclohex-4-ene-1,2,3-triol
CID 72699699
2,4-dimethyl-9-(propylamino)-5,6,7,8,8a,9-hexahydro-4bH-fluoren-1-ol;hydrochloride
CID 19833473
2,6-dimethyl-4-octadecylphenol
CID 66619575
4-hexatriacontyl-2,6-dimethylphenol
CID 71335537
8-butyl-3-methylbicyclo[4.2.0]octa-1(6),2,4-trien-2-ol
CID 139973394
N-[(2,4,5-trimethylphenyl)methyl]hexan-1-amine
CID 43220475
2,5-dimethyl-4-(pentylamino)phenol
CID 106953723
3-(5-tert-butyl-2-hydroxy-3-methylphenyl)-N-octadecylprop-2-enamide
CID 150070458

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-3-(octylamino)-3H-inden-4-ol;hydrochloride?
The IUPAC name of 5,7-dimethyl-3-(octylamino)-3H-inden-4-ol;hydrochloride (CID 67882682) is 5,7-dimethyl-3-(octylamino)-3H-inden-4-ol;hydrochloride.
What is the SMILES notation for 5,7-dimethyl-3-(octylamino)-3H-inden-4-ol;hydrochloride?
The canonical SMILES for 5,7-dimethyl-3-(octylamino)-3H-inden-4-ol;hydrochloride is CCCCCCCCNC1C=Cc2c(C)cc(C)c(O)c21.Cl.
What is the InChIKey of 5,7-dimethyl-3-(octylamino)-3H-inden-4-ol;hydrochloride?
The InChIKey is CBNXXYNBRFHGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO.ClH/c1-4-5-6-7-8-9-12-20-17-11-10-16-14(2)13-15(3)19(21)18(16)17;/h10-11,13,17,20-21H,4-9,12H2,1-3H3;1H.
What are the key properties of 5,7-dimethyl-3-(octylamino)-3H-inden-4-ol;hydrochloride?
5,7-dimethyl-3-(octylamino)-3H-inden-4-ol;hydrochloride has a molecular weight of 323.91 g/mol, XLogP of 5.45, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-3-(octylamino)-3H-inden-4-ol;hydrochloride is sourced from PubChem (CID 67882682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).