1-[3-(difluoromethoxy)phenyl]-2-(4-fluoro-2-methylphenyl)ethanamine

C16H16F3NO — CID 105051297

IUPAC1-[3-(difluoromethoxy)phenyl]-2-(4-fluoro-2-methylphenyl)ethanamine
SMILESCc1cc(F)ccc1CC(N)c1cccc(OC(F)F)c1
InChIInChI=1S/C16H16F3NO/c1-10-7-13(17)6-5-11(10)9-15(20)12-3-2-4-14(8-12)21-16(18)19/h2-8,15-16H,9,20H2,1H3
InChIKeyPXCVQHUKVADSME-UHFFFAOYSA-N
MW295.30 g/mol
LogP3.98
Rot. Bonds5

About 1-[3-(difluoromethoxy)phenyl]-2-(4-fluoro-2-methylphenyl)ethanamine

1-[3-(difluoromethoxy)phenyl]-2-(4-fluoro-2-methylphenyl)ethanamine (PubChem CID 105051297) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)phenyl]-2-(4-fluoro-2-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)phenyl]-2-(4-fluoro-2-methylphenyl)ethanamine
PubChem CID105051297
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name1-[3-(difluoromethoxy)phenyl]-2-(4-fluoro-2-methylphenyl)ethanamine
SMILESCc1cc(F)ccc1CC(N)c1cccc(OC(F)F)c1
InChIInChI=1S/C16H16F3NO/c1-10-7-13(17)6-5-11(10)9-15(20)12-3-2-4-14(8-12)21-16(18)19/h2-8,15-16H,9,20H2,1H3
InChIKeyPXCVQHUKVADSME-UHFFFAOYSA-N
XLogP3.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluoro-2-methylphenyl)-1-(3-fluorophenyl)ethanamine
CID 114347619
2-(2,4-dichlorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanamine
CID 115840311
[3-(difluoromethoxy)phenyl]-(5-fluoro-2-methylphenyl)methanamine
CID 115852067
(1S)-1-[3-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine
CID 104894054
1-[3-(difluoromethoxy)phenyl]-2-methoxyethanamine
CID 112684585
1-[3-(difluoromethoxy)phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 105019497
(1R)-1-[3-(difluoromethoxy)phenyl]-3-methylbutan-1-amine;hydrochloride
CID 171206124
2-(4-bromophenyl)-1-[3-(difluoromethoxy)phenyl]ethanamine
CID 61079788
ethyl (3R)-3-amino-3-[3-(difluoromethoxy)phenyl]propanoate
CID 171206155
1-[3-(difluoromethoxy)phenyl]-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 115852460
1-[4-(difluoromethoxy)phenyl]-2-(2-methylphenyl)ethanamine
CID 61077993
2-(3-fluorophenyl)-1-(3-propan-2-yloxyphenyl)ethanamine
CID 62919131

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)phenyl]-2-(4-fluoro-2-methylphenyl)ethanamine?
The IUPAC name of 1-[3-(difluoromethoxy)phenyl]-2-(4-fluoro-2-methylphenyl)ethanamine (CID 105051297) is 1-[3-(difluoromethoxy)phenyl]-2-(4-fluoro-2-methylphenyl)ethanamine.
What is the SMILES notation for 1-[3-(difluoromethoxy)phenyl]-2-(4-fluoro-2-methylphenyl)ethanamine?
The canonical SMILES for 1-[3-(difluoromethoxy)phenyl]-2-(4-fluoro-2-methylphenyl)ethanamine is Cc1cc(F)ccc1CC(N)c1cccc(OC(F)F)c1.
What is the InChIKey of 1-[3-(difluoromethoxy)phenyl]-2-(4-fluoro-2-methylphenyl)ethanamine?
The InChIKey is PXCVQHUKVADSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c1-10-7-13(17)6-5-11(10)9-15(20)12-3-2-4-14(8-12)21-16(18)19/h2-8,15-16H,9,20H2,1H3.
What are the key properties of 1-[3-(difluoromethoxy)phenyl]-2-(4-fluoro-2-methylphenyl)ethanamine?
1-[3-(difluoromethoxy)phenyl]-2-(4-fluoro-2-methylphenyl)ethanamine has a molecular weight of 295.30 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)phenyl]-2-(4-fluoro-2-methylphenyl)ethanamine is sourced from PubChem (CID 105051297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).