2-(butylamino)-1-[6-chloro-3-(4-chlorophenyl)naphthalen-1-yl]ethanol

C22H23Cl2NO — CID 559385

IUPAC2-(butylamino)-1-[6-chloro-3-(4-chlorophenyl)naphthalen-1-yl]ethanol
SMILESCCCCNCC(O)c1cc(-c2ccc(Cl)cc2)cc2cc(Cl)ccc12
InChIInChI=1S/C22H23Cl2NO/c1-2-3-10-25-14-22(26)21-13-16(15-4-6-18(23)7-5-15)11-17-12-19(24)8-9-20(17)21/h4-9,11-13,22,25-26H,2-3,10,14H2,1H3
InChIKeyHFEIJOIPCOCUNG-UHFFFAOYSA-N
MW388.34 g/mol
LogP6.24
Rot. Bonds7

About 2-(butylamino)-1-[6-chloro-3-(4-chlorophenyl)naphthalen-1-yl]ethanol

2-(butylamino)-1-[6-chloro-3-(4-chlorophenyl)naphthalen-1-yl]ethanol (PubChem CID 559385) has the molecular formula C22H23Cl2NO and a molecular weight of 388.34 g/mol. Its IUPAC name is 2-(butylamino)-1-[6-chloro-3-(4-chlorophenyl)naphthalen-1-yl]ethanol.

Molecular Properties

Compound Name2-(butylamino)-1-[6-chloro-3-(4-chlorophenyl)naphthalen-1-yl]ethanol
PubChem CID559385
Molecular FormulaC22H23Cl2NO
Molecular Weight388.34 g/mol
Exact Mass387.12
IUPAC Name2-(butylamino)-1-[6-chloro-3-(4-chlorophenyl)naphthalen-1-yl]ethanol
SMILESCCCCNCC(O)c1cc(-c2ccc(Cl)cc2)cc2cc(Cl)ccc12
InChIInChI=1S/C22H23Cl2NO/c1-2-3-10-25-14-22(26)21-13-16(15-4-6-18(23)7-5-15)11-17-12-19(24)8-9-20(17)21/h4-9,11-13,22,25-26H,2-3,10,14H2,1H3
InChIKeyHFEIJOIPCOCUNG-UHFFFAOYSA-N
XLogP6.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.34
LogP ≤ 56.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(butylamino)-1-[6-chloro-3-(4-chlorophenyl)naphthalen-1-yl]ethanol?
The IUPAC name of 2-(butylamino)-1-[6-chloro-3-(4-chlorophenyl)naphthalen-1-yl]ethanol (CID 559385) is 2-(butylamino)-1-[6-chloro-3-(4-chlorophenyl)naphthalen-1-yl]ethanol.
What is the SMILES notation for 2-(butylamino)-1-[6-chloro-3-(4-chlorophenyl)naphthalen-1-yl]ethanol?
The canonical SMILES for 2-(butylamino)-1-[6-chloro-3-(4-chlorophenyl)naphthalen-1-yl]ethanol is CCCCNCC(O)c1cc(-c2ccc(Cl)cc2)cc2cc(Cl)ccc12.
What is the InChIKey of 2-(butylamino)-1-[6-chloro-3-(4-chlorophenyl)naphthalen-1-yl]ethanol?
The InChIKey is HFEIJOIPCOCUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2NO/c1-2-3-10-25-14-22(26)21-13-16(15-4-6-18(23)7-5-15)11-17-12-19(24)8-9-20(17)21/h4-9,11-13,22,25-26H,2-3,10,14H2,1H3.
What are the key properties of 2-(butylamino)-1-[6-chloro-3-(4-chlorophenyl)naphthalen-1-yl]ethanol?
2-(butylamino)-1-[6-chloro-3-(4-chlorophenyl)naphthalen-1-yl]ethanol has a molecular weight of 388.34 g/mol, XLogP of 6.24, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)-1-[6-chloro-3-(4-chlorophenyl)naphthalen-1-yl]ethanol is sourced from PubChem (CID 559385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).