1-[1-[2-(difluoromethoxy)phenyl]cyclopropyl]ethanamine

C12H15F2NO — CID 117326824

IUPAC1-[1-[2-(difluoromethoxy)phenyl]cyclopropyl]ethanamine
SMILESCC(N)C1(c2ccccc2OC(F)F)CC1
InChIInChI=1S/C12H15F2NO/c1-8(15)12(6-7-12)9-4-2-3-5-10(9)16-11(13)14/h2-5,8,11H,6-7,15H2,1H3
InChIKeyISQKYHVPJCTZQR-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.67
Rot. Bonds4

About 1-[1-[2-(difluoromethoxy)phenyl]cyclopropyl]ethanamine

1-[1-[2-(difluoromethoxy)phenyl]cyclopropyl]ethanamine (PubChem CID 117326824) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is 1-[1-[2-(difluoromethoxy)phenyl]cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-[2-(difluoromethoxy)phenyl]cyclopropyl]ethanamine
PubChem CID117326824
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name1-[1-[2-(difluoromethoxy)phenyl]cyclopropyl]ethanamine
SMILESCC(N)C1(c2ccccc2OC(F)F)CC1
InChIInChI=1S/C12H15F2NO/c1-8(15)12(6-7-12)9-4-2-3-5-10(9)16-11(13)14/h2-5,8,11H,6-7,15H2,1H3
InChIKeyISQKYHVPJCTZQR-UHFFFAOYSA-N
XLogP2.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(difluoromethoxy)phenyl]cyclopropan-1-amine
CID 95732347
1-[1-[2-(1-fluoroethyl)-3-methoxyphenyl]cyclopropyl]ethanamine
CID 117347308
1-[2-(difluoromethoxy)phenyl]cyclopropan-1-ol
CID 117289125
1-[1-[2-(difluoromethylsulfanyl)phenyl]cyclopropyl]ethanamine
CID 117360639
1-[1-[2-(2-fluoropropyl)phenyl]cyclopropyl]ethanamine
CID 117316840
1-[1-[2-(1-methoxycyclopropyl)phenyl]cyclopropyl]ethanamine
CID 117118334
1-[1-[3-chloro-2-(fluoromethyl)phenyl]cyclopropyl]ethanamine
CID 117327900
1-[1-(2-cyclohexylphenyl)cyclopropyl]ethanamine
CID 117360924
1-[1-(2-cycloheptylphenyl)cyclopropyl]ethanamine
CID 117397248
2-[1-(1-aminoethyl)cyclopropyl]-6-fluoro-N,N-dimethylaniline
CID 117118396
1-[1-(3-bromo-2-methylphenyl)cyclopropyl]ethanamine
CID 117388142
1-[1-(4-fluoro-2-methylphenyl)cyclopropyl]ethanamine
CID 117283964

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(difluoromethoxy)phenyl]cyclopropyl]ethanamine?
The IUPAC name of 1-[1-[2-(difluoromethoxy)phenyl]cyclopropyl]ethanamine (CID 117326824) is 1-[1-[2-(difluoromethoxy)phenyl]cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-[2-(difluoromethoxy)phenyl]cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-[2-(difluoromethoxy)phenyl]cyclopropyl]ethanamine is CC(N)C1(c2ccccc2OC(F)F)CC1.
What is the InChIKey of 1-[1-[2-(difluoromethoxy)phenyl]cyclopropyl]ethanamine?
The InChIKey is ISQKYHVPJCTZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c1-8(15)12(6-7-12)9-4-2-3-5-10(9)16-11(13)14/h2-5,8,11H,6-7,15H2,1H3.
What are the key properties of 1-[1-[2-(difluoromethoxy)phenyl]cyclopropyl]ethanamine?
1-[1-[2-(difluoromethoxy)phenyl]cyclopropyl]ethanamine has a molecular weight of 227.25 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(difluoromethoxy)phenyl]cyclopropyl]ethanamine is sourced from PubChem (CID 117326824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).