1-[2-(difluoromethoxy)phenyl]-1-(4-ethylphenyl)-N-methylmethanamine

C17H19F2NO — CID 43484647

IUPAC1-[2-(difluoromethoxy)phenyl]-1-(4-ethylphenyl)-N-methylmethanamine
SMILESCCc1ccc(C(NC)c2ccccc2OC(F)F)cc1
InChIInChI=1S/C17H19F2NO/c1-3-12-8-10-13(11-9-12)16(20-2)14-6-4-5-7-15(14)21-17(18)19/h4-11,16-17,20H,3H2,1-2H3
InChIKeyXWSAVXKYWRQSCU-UHFFFAOYSA-N
MW291.34 g/mol
LogP4.16
Rot. Bonds6

About 1-[2-(difluoromethoxy)phenyl]-1-(4-ethylphenyl)-N-methylmethanamine

1-[2-(difluoromethoxy)phenyl]-1-(4-ethylphenyl)-N-methylmethanamine (PubChem CID 43484647) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)phenyl]-1-(4-ethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)phenyl]-1-(4-ethylphenyl)-N-methylmethanamine
PubChem CID43484647
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC Name1-[2-(difluoromethoxy)phenyl]-1-(4-ethylphenyl)-N-methylmethanamine
SMILESCCc1ccc(C(NC)c2ccccc2OC(F)F)cc1
InChIInChI=1S/C17H19F2NO/c1-3-12-8-10-13(11-9-12)16(20-2)14-6-4-5-7-15(14)21-17(18)19/h4-11,16-17,20H,3H2,1-2H3
InChIKeyXWSAVXKYWRQSCU-UHFFFAOYSA-N
XLogP4.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(difluoromethoxy)phenyl]-1-(4-fluorophenyl)-N-methylmethanamine
CID 43481244
1-[4-(difluoromethoxy)phenyl]-1-(4-ethylphenyl)-N-methylmethanamine
CID 43484649
N-[(4-chlorophenyl)-[2-(difluoromethoxy)phenyl]methyl]ethanamine
CID 43488937
1-(2,3-dichlorophenyl)-1-(4-ethylphenyl)-N-methylmethanamine
CID 43484734
1-[4-(2-methoxyethyl)phenyl]-1-(2-methoxyphenyl)-N-methylmethanamine
CID 43482394
1-(4-ethylphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine
CID 105065349
1-[(1E)-cycloocten-1-yl]-1-[2-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 106656311
1-[2-(difluoromethoxy)phenyl]-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 105038764
1-(4-ethylphenyl)-1-(2-fluoro-6-methoxyphenyl)-N-methylmethanamine
CID 65434197
1-[4-(difluoromethoxy)phenyl]-1-(3-ethylphenyl)-N-methylmethanamine
CID 105018726
1-(5-bromo-4-chlorothiophen-2-yl)-1-[2-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 80530820
1-[2-(difluoromethoxy)phenyl]-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine
CID 102653477

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)phenyl]-1-(4-ethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-[2-(difluoromethoxy)phenyl]-1-(4-ethylphenyl)-N-methylmethanamine (CID 43484647) is 1-[2-(difluoromethoxy)phenyl]-1-(4-ethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-[2-(difluoromethoxy)phenyl]-1-(4-ethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-[2-(difluoromethoxy)phenyl]-1-(4-ethylphenyl)-N-methylmethanamine is CCc1ccc(C(NC)c2ccccc2OC(F)F)cc1.
What is the InChIKey of 1-[2-(difluoromethoxy)phenyl]-1-(4-ethylphenyl)-N-methylmethanamine?
The InChIKey is XWSAVXKYWRQSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-3-12-8-10-13(11-9-12)16(20-2)14-6-4-5-7-15(14)21-17(18)19/h4-11,16-17,20H,3H2,1-2H3.
What are the key properties of 1-[2-(difluoromethoxy)phenyl]-1-(4-ethylphenyl)-N-methylmethanamine?
1-[2-(difluoromethoxy)phenyl]-1-(4-ethylphenyl)-N-methylmethanamine has a molecular weight of 291.34 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)phenyl]-1-(4-ethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 43484647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).