4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]cyclohexan-1-amine

C20H23F2NO — CID 163615005

IUPAC4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]cyclohexan-1-amine
SMILESCCOc1ccc(-c2ccc(C3CCC(N)CC3)cc2)c(F)c1F
InChIInChI=1S/C20H23F2NO/c1-2-24-18-12-11-17(19(21)20(18)22)15-5-3-13(4-6-15)14-7-9-16(23)10-8-14/h3-6,11-12,14,16H,2,7-10,23H2,1H3
InChIKeyHJFSNOZIHWGUAL-UHFFFAOYSA-N
MW331.41 g/mol
LogP5.02
Rot. Bonds4

About 4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]cyclohexan-1-amine

4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]cyclohexan-1-amine (PubChem CID 163615005) has the molecular formula C20H23F2NO and a molecular weight of 331.41 g/mol. Its IUPAC name is 4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]cyclohexan-1-amine
PubChem CID163615005
Molecular FormulaC20H23F2NO
Molecular Weight331.41 g/mol
Exact Mass331.17
IUPAC Name4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]cyclohexan-1-amine
SMILESCCOc1ccc(-c2ccc(C3CCC(N)CC3)cc2)c(F)c1F
InChIInChI=1S/C20H23F2NO/c1-2-24-18-12-11-17(19(21)20(18)22)15-5-3-13(4-6-15)14-7-9-16(23)10-8-14/h3-6,11-12,14,16H,2,7-10,23H2,1H3
InChIKeyHJFSNOZIHWGUAL-UHFFFAOYSA-N
XLogP5.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.41
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[6-(4-ethoxy-2,3-difluorophenyl)naphthalen-2-yl]cyclohexan-1-amine
CID 163630418
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-ethoxy-2,3-difluoro-4-[4-[4-(3-propylcyclopentyl)cyclohexyl]phenyl]benzene
CID 58555645
CID 67612605
CID 67612605
1-ethoxy-2,3-difluoro-4-[4-[4-(2-fluorobut-1-enyl)cyclohexyl]phenyl]benzene
CID 123167531
(Z)-3-[4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]cyclohexyl]-2-fluoroprop-2-en-1-ol
CID 118316481
1-ethoxy-2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1-ethoxy-2,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]benzene
CID 144647908
1-[4-(4-ethylcyclohexyl)phenyl]-2,3-difluoro-4-prop-2-enoxybenzene
CID 134358599
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

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]cyclohexan-1-amine?
The IUPAC name of 4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]cyclohexan-1-amine (CID 163615005) is 4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]cyclohexan-1-amine?
The canonical SMILES for 4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]cyclohexan-1-amine is CCOc1ccc(-c2ccc(C3CCC(N)CC3)cc2)c(F)c1F.
What is the InChIKey of 4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]cyclohexan-1-amine?
The InChIKey is HJFSNOZIHWGUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2NO/c1-2-24-18-12-11-17(19(21)20(18)22)15-5-3-13(4-6-15)14-7-9-16(23)10-8-14/h3-6,11-12,14,16H,2,7-10,23H2,1H3.
What are the key properties of 4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]cyclohexan-1-amine?
4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]cyclohexan-1-amine has a molecular weight of 331.41 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]cyclohexan-1-amine is sourced from PubChem (CID 163615005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).