4-[6-(4-ethoxy-2,3-difluorophenyl)naphthalen-2-yl]cyclohexan-1-amine

C24H25F2NO — CID 163630418

IUPAC4-[6-(4-ethoxy-2,3-difluorophenyl)naphthalen-2-yl]cyclohexan-1-amine
SMILESCCOc1ccc(-c2ccc3cc(C4CCC(N)CC4)ccc3c2)c(F)c1F
InChIInChI=1S/C24H25F2NO/c1-2-28-22-12-11-21(23(25)24(22)26)19-6-5-17-13-16(3-4-18(17)14-19)15-7-9-20(27)10-8-15/h3-6,11-15,20H,2,7-10,27H2,1H3
InChIKeyHVOXAMZOFJPHTM-UHFFFAOYSA-N
MW381.47 g/mol
LogP6.17
Rot. Bonds4

About 4-[6-(4-ethoxy-2,3-difluorophenyl)naphthalen-2-yl]cyclohexan-1-amine

4-[6-(4-ethoxy-2,3-difluorophenyl)naphthalen-2-yl]cyclohexan-1-amine (PubChem CID 163630418) has the molecular formula C24H25F2NO and a molecular weight of 381.47 g/mol. Its IUPAC name is 4-[6-(4-ethoxy-2,3-difluorophenyl)naphthalen-2-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[6-(4-ethoxy-2,3-difluorophenyl)naphthalen-2-yl]cyclohexan-1-amine
PubChem CID163630418
Molecular FormulaC24H25F2NO
Molecular Weight381.47 g/mol
Exact Mass381.19
IUPAC Name4-[6-(4-ethoxy-2,3-difluorophenyl)naphthalen-2-yl]cyclohexan-1-amine
SMILESCCOc1ccc(-c2ccc3cc(C4CCC(N)CC4)ccc3c2)c(F)c1F
InChIInChI=1S/C24H25F2NO/c1-2-28-22-12-11-21(23(25)24(22)26)19-6-5-17-13-16(3-4-18(17)14-19)15-7-9-20(27)10-8-15/h3-6,11-15,20H,2,7-10,27H2,1H3
InChIKeyHVOXAMZOFJPHTM-UHFFFAOYSA-N
XLogP6.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.47
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]cyclohexan-1-amine
CID 163615005
2-[4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]cyclohexyl]ethanamine
CID 131994381
1-ethoxy-2,3-difluoro-4-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]benzene
CID 118965777
2,3-difluoro-1-methoxy-4-[4-(4-methylcyclohexyl)phenyl]benzene;1-ethoxy-2,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]benzene
CID 145449238
1-[4-(4-butylcyclohexyl)-2-fluorophenyl]-4-ethoxy-2,3-difluorobenzene
CID 59874068
1-[4-[[4-(4-ethenylphenyl)cyclohexyl]methoxy]-3-fluorophenyl]-4-ethoxy-2,3-difluorobenzene
CID 154607142
1-ethoxy-2,3-difluoro-4-[2-fluoro-4-(4-nonylcyclohexyl)phenyl]benzene
CID 59874071
1-ethoxy-2,3-difluoro-4-[4-[4-(3-propylcyclopentyl)cyclohexyl]phenyl]benzene
CID 58555645
1-[[4-(4-ethoxy-3-fluorophenyl)cyclohexyl]methoxy]-2,3-difluoro-4-(4-prop-1-enylphenyl)benzene
CID 77470533
3-[4-(4-butylcyclohexyl)phenyl]-7-ethoxy-1,2,8-trifluoronaphthalene
CID 101366813
1-[[4-(4-butoxy-3-fluorophenyl)cyclohexyl]methoxy]-2,3-difluoro-4-(4-propoxyphenyl)benzene
CID 89429869
1-[[4-(4-ethoxy-3-fluorophenyl)cyclohexyl]oxymethyl]-4-(4-ethoxyphenyl)-2,3-difluorobenzene
CID 89429667

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-ethoxy-2,3-difluorophenyl)naphthalen-2-yl]cyclohexan-1-amine?
The IUPAC name of 4-[6-(4-ethoxy-2,3-difluorophenyl)naphthalen-2-yl]cyclohexan-1-amine (CID 163630418) is 4-[6-(4-ethoxy-2,3-difluorophenyl)naphthalen-2-yl]cyclohexan-1-amine.
What is the SMILES notation for 4-[6-(4-ethoxy-2,3-difluorophenyl)naphthalen-2-yl]cyclohexan-1-amine?
The canonical SMILES for 4-[6-(4-ethoxy-2,3-difluorophenyl)naphthalen-2-yl]cyclohexan-1-amine is CCOc1ccc(-c2ccc3cc(C4CCC(N)CC4)ccc3c2)c(F)c1F.
What is the InChIKey of 4-[6-(4-ethoxy-2,3-difluorophenyl)naphthalen-2-yl]cyclohexan-1-amine?
The InChIKey is HVOXAMZOFJPHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2NO/c1-2-28-22-12-11-21(23(25)24(22)26)19-6-5-17-13-16(3-4-18(17)14-19)15-7-9-20(27)10-8-15/h3-6,11-15,20H,2,7-10,27H2,1H3.
What are the key properties of 4-[6-(4-ethoxy-2,3-difluorophenyl)naphthalen-2-yl]cyclohexan-1-amine?
4-[6-(4-ethoxy-2,3-difluorophenyl)naphthalen-2-yl]cyclohexan-1-amine has a molecular weight of 381.47 g/mol, XLogP of 6.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-ethoxy-2,3-difluorophenyl)naphthalen-2-yl]cyclohexan-1-amine is sourced from PubChem (CID 163630418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).