1-[1-[3-(difluoromethyl)-4-methoxyphenyl]cyclopropyl]ethanamine

C13H17F2NO — CID 117355047

IUPAC1-[1-[3-(difluoromethyl)-4-methoxyphenyl]cyclopropyl]ethanamine
SMILESCOc1ccc(C2(C(C)N)CC2)cc1C(F)F
InChIInChI=1S/C13H17F2NO/c1-8(16)13(5-6-13)9-3-4-11(17-2)10(7-9)12(14)15/h3-4,7-8,12H,5-6,16H2,1-2H3
InChIKeyBVBXRTJAGQLCFV-UHFFFAOYSA-N
MW241.28 g/mol
LogP3.01
Rot. Bonds4

About 1-[1-[3-(difluoromethyl)-4-methoxyphenyl]cyclopropyl]ethanamine

1-[1-[3-(difluoromethyl)-4-methoxyphenyl]cyclopropyl]ethanamine (PubChem CID 117355047) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 1-[1-[3-(difluoromethyl)-4-methoxyphenyl]cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-[3-(difluoromethyl)-4-methoxyphenyl]cyclopropyl]ethanamine
PubChem CID117355047
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name1-[1-[3-(difluoromethyl)-4-methoxyphenyl]cyclopropyl]ethanamine
SMILESCOc1ccc(C2(C(C)N)CC2)cc1C(F)F
InChIInChI=1S/C13H17F2NO/c1-8(16)13(5-6-13)9-3-4-11(17-2)10(7-9)12(14)15/h3-4,7-8,12H,5-6,16H2,1-2H3
InChIKeyBVBXRTJAGQLCFV-UHFFFAOYSA-N
XLogP3.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(3-methoxy-4-propan-2-ylphenyl)cyclopropyl]ethanamine
CID 117339161
1-[1-[3-methoxy-4-(methoxymethyl)phenyl]cyclopropyl]ethanamine
CID 117343261
1-[1-(3-cyclohexyl-4-methoxyphenyl)cyclopropyl]ethanamine
CID 117436696
1-[1-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropyl]ethanamine
CID 117489876
1-[1-[3-(difluoromethyl)phenyl]cyclopropyl]ethanamine
CID 117301569
4-[1-(1-aminoethyl)cyclopropyl]-2-fluoro-6-methoxyphenol
CID 117323546
tert-butyl N-[5-[1-(1-aminoethyl)cyclopropyl]-2-methoxyphenyl]carbamate
CID 117491724
3-[5-(difluoromethyl)-2-methoxyphenyl]butan-1-amine
CID 117330475
1-[1-(4-chloro-3-fluorophenyl)cyclopropyl]ethanamine
CID 83689421
4-[1-(1-aminoethyl)cyclopropyl]-2-fluorophenol
CID 117285258
1-[1-(3-fluoro-4-iodophenyl)cyclopropyl]ethanamine
CID 117046693
2-[5-(difluoromethyl)-2-methoxyphenyl]propan-1-amine
CID 84681021

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(difluoromethyl)-4-methoxyphenyl]cyclopropyl]ethanamine?
The IUPAC name of 1-[1-[3-(difluoromethyl)-4-methoxyphenyl]cyclopropyl]ethanamine (CID 117355047) is 1-[1-[3-(difluoromethyl)-4-methoxyphenyl]cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-[3-(difluoromethyl)-4-methoxyphenyl]cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-[3-(difluoromethyl)-4-methoxyphenyl]cyclopropyl]ethanamine is COc1ccc(C2(C(C)N)CC2)cc1C(F)F.
What is the InChIKey of 1-[1-[3-(difluoromethyl)-4-methoxyphenyl]cyclopropyl]ethanamine?
The InChIKey is BVBXRTJAGQLCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c1-8(16)13(5-6-13)9-3-4-11(17-2)10(7-9)12(14)15/h3-4,7-8,12H,5-6,16H2,1-2H3.
What are the key properties of 1-[1-[3-(difluoromethyl)-4-methoxyphenyl]cyclopropyl]ethanamine?
1-[1-[3-(difluoromethyl)-4-methoxyphenyl]cyclopropyl]ethanamine has a molecular weight of 241.28 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(difluoromethyl)-4-methoxyphenyl]cyclopropyl]ethanamine is sourced from PubChem (CID 117355047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).