(1R)-2-(dibutylamino)-1-(2,7-dichloro-9H-fluoren-4-yl)ethanol

C23H29Cl2NO — CID 86306123

IUPAC(1R)-2-(dibutylamino)-1-(2,7-dichloro-9H-fluoren-4-yl)ethanol
SMILESCCCCN(CCCC)C[C@H](O)c1cc(Cl)cc2c1-c1ccc(Cl)cc1C2
InChIInChI=1S/C23H29Cl2NO/c1-3-5-9-26(10-6-4-2)15-22(27)21-14-19(25)13-17-11-16-12-18(24)7-8-20(16)23(17)21/h7-8,12-14,22,27H,3-6,9-11,15H2,1-2H3/t22-/m0/s1
InChIKeyDALUOHFKVYCDCW-QFIPXVFZSA-N
MW406.40 g/mol
LogP6.50
Rot. Bonds9

About (1R)-2-(dibutylamino)-1-(2,7-dichloro-9H-fluoren-4-yl)ethanol

(1R)-2-(dibutylamino)-1-(2,7-dichloro-9H-fluoren-4-yl)ethanol (PubChem CID 86306123) has the molecular formula C23H29Cl2NO and a molecular weight of 406.40 g/mol. Its IUPAC name is (1R)-2-(dibutylamino)-1-(2,7-dichloro-9H-fluoren-4-yl)ethanol.

Molecular Properties

Compound Name(1R)-2-(dibutylamino)-1-(2,7-dichloro-9H-fluoren-4-yl)ethanol
PubChem CID86306123
Molecular FormulaC23H29Cl2NO
Molecular Weight406.40 g/mol
Exact Mass405.16
IUPAC Name(1R)-2-(dibutylamino)-1-(2,7-dichloro-9H-fluoren-4-yl)ethanol
SMILESCCCCN(CCCC)C[C@H](O)c1cc(Cl)cc2c1-c1ccc(Cl)cc1C2
InChIInChI=1S/C23H29Cl2NO/c1-3-5-9-26(10-6-4-2)15-22(27)21-14-19(25)13-17-11-16-12-18(24)7-8-20(16)23(17)21/h7-8,12-14,22,27H,3-6,9-11,15H2,1-2H3/t22-/m0/s1
InChIKeyDALUOHFKVYCDCW-QFIPXVFZSA-N
XLogP6.50
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.40
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 6437380
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2-(Dibutylamino)-1-(2,7-dichloro-9-(4-chlorobenzylidene)-9H-fluoren-4-yl)ethanol
CID 5311253
1-[(9Z)-9-benzylidene-2,7-dichlorofluoren-4-yl]-2-(dibutylamino)ethanol
CID 168297006
(1R)-2-(dibutylamino)-1-[(9Z)-2,7-dichloro-9-[(4-chlorophenyl)methylidene]fluoren-4-yl]ethanol
CID 73416446
1-(6-Chloronaphthalen-1-yl)-2-(dibutylamino)ethan-1-ol
CID 50626
Desbutyllumefantrine
CID 9934522
1-[4-[2-(4-Chlorophenyl)ethenyl]phenyl]-2-(dimethylamino)ethanol
CID 230761
2-(Dibutylamino)-1-[5,7-dichloro-3-(4-chlorophenyl)naphthalen-1-yl]ethanol;hydrochloride
CID 12475915
1-[3-Chloro-6-(3,4-dichlorophenyl)naphthalen-1-yl]-2-(dibutylamino)ethanol
CID 155511155
1-[2-Dibutylamino-1-hydroxyethyl]-6,7-dichlorophenanthrene
CID 588367
2,7-Dichloro-alpha-((dibutylamino)methyl)-9H-fluorene-4-methanol
CID 432287

Frequently Asked Questions

What is the IUPAC name of (1R)-2-(dibutylamino)-1-(2,7-dichloro-9H-fluoren-4-yl)ethanol?
The IUPAC name of (1R)-2-(dibutylamino)-1-(2,7-dichloro-9H-fluoren-4-yl)ethanol (CID 86306123) is (1R)-2-(dibutylamino)-1-(2,7-dichloro-9H-fluoren-4-yl)ethanol.
What is the SMILES notation for (1R)-2-(dibutylamino)-1-(2,7-dichloro-9H-fluoren-4-yl)ethanol?
The canonical SMILES for (1R)-2-(dibutylamino)-1-(2,7-dichloro-9H-fluoren-4-yl)ethanol is CCCCN(CCCC)C[C@H](O)c1cc(Cl)cc2c1-c1ccc(Cl)cc1C2.
What is the InChIKey of (1R)-2-(dibutylamino)-1-(2,7-dichloro-9H-fluoren-4-yl)ethanol?
The InChIKey is DALUOHFKVYCDCW-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H29Cl2NO/c1-3-5-9-26(10-6-4-2)15-22(27)21-14-19(25)13-17-11-16-12-18(24)7-8-20(16)23(17)21/h7-8,12-14,22,27H,3-6,9-11,15H2,1-2H3/t22-/m0/s1.
What are the key properties of (1R)-2-(dibutylamino)-1-(2,7-dichloro-9H-fluoren-4-yl)ethanol?
(1R)-2-(dibutylamino)-1-(2,7-dichloro-9H-fluoren-4-yl)ethanol has a molecular weight of 406.40 g/mol, XLogP of 6.50, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(dibutylamino)-1-(2,7-dichloro-9H-fluoren-4-yl)ethanol is sourced from PubChem (CID 86306123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).