1-[2-(difluoromethoxy)phenyl]-N-(2-phenylethyl)ethanamine

C17H19F2NO — CID 43194104

IUPAC1-[2-(difluoromethoxy)phenyl]-N-(2-phenylethyl)ethanamine
SMILESCC(NCCc1ccccc1)c1ccccc1OC(F)F
InChIInChI=1S/C17H19F2NO/c1-13(20-12-11-14-7-3-2-4-8-14)15-9-5-6-10-16(15)21-17(18)19/h2-10,13,17,20H,11-12H2,1H3
InChIKeyUUOSDUQGEOAJCR-UHFFFAOYSA-N
MW291.34 g/mol
LogP4.18
Rot. Bonds7

About 1-[2-(difluoromethoxy)phenyl]-N-(2-phenylethyl)ethanamine

1-[2-(difluoromethoxy)phenyl]-N-(2-phenylethyl)ethanamine (PubChem CID 43194104) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)phenyl]-N-(2-phenylethyl)ethanamine.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)phenyl]-N-(2-phenylethyl)ethanamine
PubChem CID43194104
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC Name1-[2-(difluoromethoxy)phenyl]-N-(2-phenylethyl)ethanamine
SMILESCC(NCCc1ccccc1)c1ccccc1OC(F)F
InChIInChI=1S/C17H19F2NO/c1-13(20-12-11-14-7-3-2-4-8-14)15-9-5-6-10-16(15)21-17(18)19/h2-10,13,17,20H,11-12H2,1H3
InChIKeyUUOSDUQGEOAJCR-UHFFFAOYSA-N
XLogP4.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-[2-(difluoromethoxy)phenyl]ethylamino]butan-1-ol
CID 106840787
1-[1-[2-(difluoromethoxy)phenyl]ethylamino]-3-phenylpropan-2-ol
CID 110887860
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-4-methylsulfanylbutan-1-amine
CID 115721477
1-[1-[2-(difluoromethoxy)phenyl]ethylamino]propan-2-ol
CID 43499370
1-(2-heptoxyphenyl)-N-(2-phenylethyl)ethanamine
CID 54804755
4-[1-[2-(difluoromethoxy)phenyl]ethylamino]butanamide
CID 60863199
N-(2-butoxyethyl)-1-[2-(difluoromethoxy)phenyl]ethanamine
CID 61169297
1-(2-hexoxyphenyl)-N-(2-phenylethyl)ethanamine
CID 54804864
1-(2-methoxyphenyl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 54941073
2-[1-(2-phenylethylamino)ethyl]phenol
CID 43194097
1-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43106895
[1-[[1-[2-(difluoromethoxy)phenyl]ethylamino]methyl]cyclopropyl]methanol
CID 81344008

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)phenyl]-N-(2-phenylethyl)ethanamine?
The IUPAC name of 1-[2-(difluoromethoxy)phenyl]-N-(2-phenylethyl)ethanamine (CID 43194104) is 1-[2-(difluoromethoxy)phenyl]-N-(2-phenylethyl)ethanamine.
What is the SMILES notation for 1-[2-(difluoromethoxy)phenyl]-N-(2-phenylethyl)ethanamine?
The canonical SMILES for 1-[2-(difluoromethoxy)phenyl]-N-(2-phenylethyl)ethanamine is CC(NCCc1ccccc1)c1ccccc1OC(F)F.
What is the InChIKey of 1-[2-(difluoromethoxy)phenyl]-N-(2-phenylethyl)ethanamine?
The InChIKey is UUOSDUQGEOAJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-13(20-12-11-14-7-3-2-4-8-14)15-9-5-6-10-16(15)21-17(18)19/h2-10,13,17,20H,11-12H2,1H3.
What are the key properties of 1-[2-(difluoromethoxy)phenyl]-N-(2-phenylethyl)ethanamine?
1-[2-(difluoromethoxy)phenyl]-N-(2-phenylethyl)ethanamine has a molecular weight of 291.34 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)phenyl]-N-(2-phenylethyl)ethanamine is sourced from PubChem (CID 43194104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).