1-[1-[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]cyclopropyl]ethanamine

C15H21F2NO2 — CID 117459525

IUPAC1-[1-[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]cyclopropyl]ethanamine
SMILESCOc1cc(C(C)(F)F)c(C2(C(C)N)CC2)cc1OC
InChIInChI=1S/C15H21F2NO2/c1-9(18)15(5-6-15)11-8-13(20-4)12(19-3)7-10(11)14(2,16)17/h7-9H,5-6,18H2,1-4H3
InChIKeyWFHROEBQANGQHN-UHFFFAOYSA-N
MW285.33 g/mol
LogP3.19
Rot. Bonds5

About 1-[1-[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]cyclopropyl]ethanamine

1-[1-[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]cyclopropyl]ethanamine (PubChem CID 117459525) has the molecular formula C15H21F2NO2 and a molecular weight of 285.33 g/mol. Its IUPAC name is 1-[1-[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]cyclopropyl]ethanamine
PubChem CID117459525
Molecular FormulaC15H21F2NO2
Molecular Weight285.33 g/mol
Exact Mass285.15
IUPAC Name1-[1-[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]cyclopropyl]ethanamine
SMILESCOc1cc(C(C)(F)F)c(C2(C(C)N)CC2)cc1OC
InChIInChI=1S/C15H21F2NO2/c1-9(18)15(5-6-15)11-8-13(20-4)12(19-3)7-10(11)14(2,16)17/h7-9H,5-6,18H2,1-4H3
InChIKeyWFHROEBQANGQHN-UHFFFAOYSA-N
XLogP3.19
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)cyclopropyl]ethanamine
CID 117456418
1-[1-(2,4-dimethoxy-5-propan-2-ylphenyl)cyclopropyl]ethanamine
CID 117413676
2-[1-[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]cyclopropyl]acetic acid
CID 117484005
1-[1-(5-bromo-4-fluoro-2-methoxyphenyl)cyclopropyl]ethanamine
CID 117465007
1-[1-(5-chloro-4-fluoro-2-methoxyphenyl)cyclopropyl]ethanamine
CID 117361282
1-[1-(5-fluoro-3-methoxy-2-propan-2-ylphenyl)cyclopropyl]ethanamine
CID 117382007
1-[2-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]cyclopropan-1-ol
CID 117389108
1-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 117488350
1-[1-[5-(1-fluoroethyl)-2,3-dimethoxyphenyl]cyclopropyl]ethanamine
CID 117422055
1-[1-(3-tert-butyl-2-methoxy-5-methylphenyl)cyclopropyl]ethanamine
CID 117408617
1-[1-(3-bromo-2,5-dimethoxy-4-methylphenyl)cyclopropyl]ethanamine
CID 117499657
3-[1-(1-aminoethyl)cyclopropyl]-4,5-dimethoxybenzaldehyde
CID 117376478

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]cyclopropyl]ethanamine?
The IUPAC name of 1-[1-[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]cyclopropyl]ethanamine (CID 117459525) is 1-[1-[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]cyclopropyl]ethanamine is COc1cc(C(C)(F)F)c(C2(C(C)N)CC2)cc1OC.
What is the InChIKey of 1-[1-[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]cyclopropyl]ethanamine?
The InChIKey is WFHROEBQANGQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO2/c1-9(18)15(5-6-15)11-8-13(20-4)12(19-3)7-10(11)14(2,16)17/h7-9H,5-6,18H2,1-4H3.
What are the key properties of 1-[1-[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]cyclopropyl]ethanamine?
1-[1-[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]cyclopropyl]ethanamine has a molecular weight of 285.33 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]cyclopropyl]ethanamine is sourced from PubChem (CID 117459525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).