[3-(difluoromethoxy)phenyl]-(4-methoxy-3-methylphenyl)methanamine

C16H17F2NO2 — CID 43379666

IUPAC[3-(difluoromethoxy)phenyl]-(4-methoxy-3-methylphenyl)methanamine
SMILESCOc1ccc(C(N)c2cccc(OC(F)F)c2)cc1C
InChIInChI=1S/C16H17F2NO2/c1-10-8-12(6-7-14(10)20-2)15(19)11-4-3-5-13(9-11)21-16(17)18/h3-9,15-16H,19H2,1-2H3
InChIKeyBDGXMFKDLUJOFT-UHFFFAOYSA-N
MW293.31 g/mol
LogP3.65
Rot. Bonds5

About [3-(difluoromethoxy)phenyl]-(4-methoxy-3-methylphenyl)methanamine

[3-(difluoromethoxy)phenyl]-(4-methoxy-3-methylphenyl)methanamine (PubChem CID 43379666) has the molecular formula C16H17F2NO2 and a molecular weight of 293.31 g/mol. Its IUPAC name is [3-(difluoromethoxy)phenyl]-(4-methoxy-3-methylphenyl)methanamine.

Molecular Properties

Compound Name[3-(difluoromethoxy)phenyl]-(4-methoxy-3-methylphenyl)methanamine
PubChem CID43379666
Molecular FormulaC16H17F2NO2
Molecular Weight293.31 g/mol
Exact Mass293.12
IUPAC Name[3-(difluoromethoxy)phenyl]-(4-methoxy-3-methylphenyl)methanamine
SMILESCOc1ccc(C(N)c2cccc(OC(F)F)c2)cc1C
InChIInChI=1S/C16H17F2NO2/c1-10-8-12(6-7-14(10)20-2)15(19)11-4-3-5-13(9-11)21-16(17)18/h3-9,15-16H,19H2,1-2H3
InChIKeyBDGXMFKDLUJOFT-UHFFFAOYSA-N
XLogP3.65
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(difluoromethoxy)phenyl]-(2-fluoro-3-methoxyphenyl)methanamine
CID 105025170
(4-methoxy-3-methylphenyl)-(4-methylphenyl)methanamine
CID 43379645
1-[3-(difluoromethoxy)phenyl]-N-[(4-methoxy-3-methylphenyl)methyl]ethanamine
CID 119126832
(4-fluoro-3-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanamine
CID 81283664
[3-(difluoromethoxy)phenyl]-(5-fluoro-2-methylphenyl)methanamine
CID 115852067
(S)-[3-(difluoromethoxy)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine
CID 171241669
[3-(difluoromethoxy)phenyl]-(2-fluoro-4-methoxyphenyl)methanamine
CID 43561286
(3-fluoro-4-methylphenyl)-(3-methoxyphenyl)methanamine
CID 60819510
(2,3-difluorophenyl)-(4-methoxy-3-methylphenyl)methanamine
CID 62650016
(2-chlorophenyl)-[3-(difluoromethoxy)phenyl]methanamine
CID 115801705
2-[bromo-[3-(difluoromethoxy)phenyl]methyl]-4-chloro-1-methoxybenzene
CID 104546489
1-[3-(difluoromethoxy)phenyl]-2-methoxyethanamine
CID 112684585

Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethoxy)phenyl]-(4-methoxy-3-methylphenyl)methanamine?
The IUPAC name of [3-(difluoromethoxy)phenyl]-(4-methoxy-3-methylphenyl)methanamine (CID 43379666) is [3-(difluoromethoxy)phenyl]-(4-methoxy-3-methylphenyl)methanamine.
What is the SMILES notation for [3-(difluoromethoxy)phenyl]-(4-methoxy-3-methylphenyl)methanamine?
The canonical SMILES for [3-(difluoromethoxy)phenyl]-(4-methoxy-3-methylphenyl)methanamine is COc1ccc(C(N)c2cccc(OC(F)F)c2)cc1C.
What is the InChIKey of [3-(difluoromethoxy)phenyl]-(4-methoxy-3-methylphenyl)methanamine?
The InChIKey is BDGXMFKDLUJOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO2/c1-10-8-12(6-7-14(10)20-2)15(19)11-4-3-5-13(9-11)21-16(17)18/h3-9,15-16H,19H2,1-2H3.
What are the key properties of [3-(difluoromethoxy)phenyl]-(4-methoxy-3-methylphenyl)methanamine?
[3-(difluoromethoxy)phenyl]-(4-methoxy-3-methylphenyl)methanamine has a molecular weight of 293.31 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethoxy)phenyl]-(4-methoxy-3-methylphenyl)methanamine is sourced from PubChem (CID 43379666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).