2-[3-(difluoromethoxy)phenyl]ethanamine

C9H11F2NO — CID 45091388

IUPAC2-[3-(difluoromethoxy)phenyl]ethanamine
SMILESNCCc1cccc(OC(F)F)c1
InChIInChI=1S/C9H11F2NO/c10-9(11)13-8-3-1-2-7(6-8)4-5-12/h1-3,6,9H,4-5,12H2
InChIKeyAMEAPRSRXCKDEK-UHFFFAOYSA-N
MW187.19 g/mol
LogP1.79
Rot. Bonds4

About 2-[3-(difluoromethoxy)phenyl]ethanamine

2-[3-(difluoromethoxy)phenyl]ethanamine (PubChem CID 45091388) has the molecular formula C9H11F2NO and a molecular weight of 187.19 g/mol. Its IUPAC name is 2-[3-(difluoromethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-(difluoromethoxy)phenyl]ethanamine
PubChem CID45091388
Molecular FormulaC9H11F2NO
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name2-[3-(difluoromethoxy)phenyl]ethanamine
SMILESNCCc1cccc(OC(F)F)c1
InChIInChI=1S/C9H11F2NO/c10-9(11)13-8-3-1-2-7(6-8)4-5-12/h1-3,6,9H,4-5,12H2
InChIKeyAMEAPRSRXCKDEK-UHFFFAOYSA-N
XLogP1.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanamine
CID 3053563
[3-(difluoromethoxy)phenyl]methanol
CID 2736994
(2R)-3-[3-(difluoromethoxy)phenyl]-2-methylpropan-1-amine
CID 97057965
2-(3-pentan-2-yloxyphenyl)ethanamine
CID 107885455
2-[3-(2-fluoroethoxy)phenyl]ethanamine
CID 80693684
N-[[3-(difluoromethoxy)phenyl]methyl]hydroxylamine
CID 117281301
2-[3-(difluoromethoxy)phenyl]acetonitrile
CID 2737017
2-[3-(3,5-dichlorophenoxy)phenyl]ethanamine
CID 63942155
2-[3-(3,4-difluorophenoxy)phenyl]ethanamine
CID 63941961
2-[[3-(difluoromethoxy)phenyl]methyl]guanidine;hydroiodide
CID 110930301
1-(difluoromethoxy)-3-(2-phenoxypropyl)benzene
CID 145445557
3-[3-[2-[4-(difluoromethoxy)phenyl]ethynyl]phenyl]propan-1-amine
CID 70822444

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethoxy)phenyl]ethanamine?
The IUPAC name of 2-[3-(difluoromethoxy)phenyl]ethanamine (CID 45091388) is 2-[3-(difluoromethoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[3-(difluoromethoxy)phenyl]ethanamine?
The canonical SMILES for 2-[3-(difluoromethoxy)phenyl]ethanamine is NCCc1cccc(OC(F)F)c1.
What is the InChIKey of 2-[3-(difluoromethoxy)phenyl]ethanamine?
The InChIKey is AMEAPRSRXCKDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO/c10-9(11)13-8-3-1-2-7(6-8)4-5-12/h1-3,6,9H,4-5,12H2.
What are the key properties of 2-[3-(difluoromethoxy)phenyl]ethanamine?
2-[3-(difluoromethoxy)phenyl]ethanamine has a molecular weight of 187.19 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethoxy)phenyl]ethanamine is sourced from PubChem (CID 45091388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).