2-[4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]cyclohexyl]ethanamine

C22H27F2NO — CID 131994381

IUPAC2-[4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]cyclohexyl]ethanamine
SMILESCCOc1ccc(-c2ccc(C3CCC(CCN)CC3)cc2)c(F)c1F
InChIInChI=1S/C22H27F2NO/c1-2-26-20-12-11-19(21(23)22(20)24)18-9-7-17(8-10-18)16-5-3-15(4-6-16)13-14-25/h7-12,15-16H,2-6,13-14,25H2,1H3
InChIKeyUVSOAPXZXHDVHQ-UHFFFAOYSA-N
MW359.46 g/mol
LogP5.65
Rot. Bonds6

About 2-[4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]cyclohexyl]ethanamine

2-[4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]cyclohexyl]ethanamine (PubChem CID 131994381) has the molecular formula C22H27F2NO and a molecular weight of 359.46 g/mol. Its IUPAC name is 2-[4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]cyclohexyl]ethanamine.

Molecular Properties

Compound Name2-[4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]cyclohexyl]ethanamine
PubChem CID131994381
Molecular FormulaC22H27F2NO
Molecular Weight359.46 g/mol
Exact Mass359.21
IUPAC Name2-[4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]cyclohexyl]ethanamine
SMILESCCOc1ccc(-c2ccc(C3CCC(CCN)CC3)cc2)c(F)c1F
InChIInChI=1S/C22H27F2NO/c1-2-26-20-12-11-19(21(23)22(20)24)18-9-7-17(8-10-18)16-5-3-15(4-6-16)13-14-25/h7-12,15-16H,2-6,13-14,25H2,1H3
InChIKeyUVSOAPXZXHDVHQ-UHFFFAOYSA-N
XLogP5.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.46
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethoxy-2,3-difluoro-4-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]benzene
CID 118965777
4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]cyclohexan-1-amine
CID 163615005
1-ethoxy-2,3-difluoro-4-[4-[4-(3-propylcyclopentyl)cyclohexyl]phenyl]benzene
CID 58555645
2,3-difluoro-1-pentoxy-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 134358507
2,3-difluoro-1-octoxy-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 14495692
3-(difluoromethyl)-1-ethoxy-2-fluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 23159713
2,3-difluoro-1-[4-(4-hexylcyclohexyl)phenyl]-4-octoxybenzene
CID 134358528
1-ethoxy-2,3-difluoro-4-[4-[4-[(E)-4-(4-propylcyclohexyl)but-3-enyl]cyclohexyl]phenyl]benzene
CID 118886179
2,3-difluoro-1-[4-(4-hexylcyclohexyl)phenyl]-4-propoxybenzene
CID 134358520
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-[(E)-4-(4-but-3-enylcyclohexyl)but-3-enyl]cyclohexyl]phenyl]-4-ethoxy-2,3-difluorobenzene
CID 118886192
1-[4-(4-ethylcyclohexyl)phenyl]-2,3-difluoro-4-prop-2-enoxybenzene
CID 134358599

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]cyclohexyl]ethanamine?
The IUPAC name of 2-[4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]cyclohexyl]ethanamine (CID 131994381) is 2-[4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]cyclohexyl]ethanamine.
What is the SMILES notation for 2-[4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]cyclohexyl]ethanamine?
The canonical SMILES for 2-[4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]cyclohexyl]ethanamine is CCOc1ccc(-c2ccc(C3CCC(CCN)CC3)cc2)c(F)c1F.
What is the InChIKey of 2-[4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]cyclohexyl]ethanamine?
The InChIKey is UVSOAPXZXHDVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F2NO/c1-2-26-20-12-11-19(21(23)22(20)24)18-9-7-17(8-10-18)16-5-3-15(4-6-16)13-14-25/h7-12,15-16H,2-6,13-14,25H2,1H3.
What are the key properties of 2-[4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]cyclohexyl]ethanamine?
2-[4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]cyclohexyl]ethanamine has a molecular weight of 359.46 g/mol, XLogP of 5.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]cyclohexyl]ethanamine is sourced from PubChem (CID 131994381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).