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

C17H19F2NO — CID 43484649

IUPAC1-[4-(difluoromethoxy)phenyl]-1-(4-ethylphenyl)-N-methylmethanamine
SMILESCCc1ccc(C(NC)c2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C17H19F2NO/c1-3-12-4-6-13(7-5-12)16(20-2)14-8-10-15(11-9-14)21-17(18)19/h4-11,16-17,20H,3H2,1-2H3
InChIKeyCLARFVYEFQIPGI-UHFFFAOYSA-N
MW291.34 g/mol
LogP4.16
Rot. Bonds6

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

1-[4-(difluoromethoxy)phenyl]-1-(4-ethylphenyl)-N-methylmethanamine (PubChem CID 43484649) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-1-(4-ethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-1-(4-ethylphenyl)-N-methylmethanamine
PubChem CID43484649
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC Name1-[4-(difluoromethoxy)phenyl]-1-(4-ethylphenyl)-N-methylmethanamine
SMILESCCc1ccc(C(NC)c2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C17H19F2NO/c1-3-12-4-6-13(7-5-12)16(20-2)14-8-10-15(11-9-14)21-17(18)19/h4-11,16-17,20H,3H2,1-2H3
InChIKeyCLARFVYEFQIPGI-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-[4-(difluoromethoxy)phenyl]-1-(3-ethylphenyl)-N-methylmethanamine
CID 105018726
1-(difluoromethoxy)-4-ethylbenzene;ethane
CID 170568946
1-[2-(difluoromethoxy)phenyl]-1-(4-ethylphenyl)-N-methylmethanamine
CID 43484647
1-[3-(difluoromethoxy)phenyl]-1-(3-ethylphenyl)-N-methylmethanamine
CID 105018727
1-[4-(difluoromethoxy)phenyl]-N-methylpropan-1-amine
CID 43280106
1-(3-chlorophenyl)-1-[4-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 115811779
1-(4-ethylphenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 43480542
1-(4-ethylphenyl)-N-methyl-1-pyridin-4-ylmethanamine
CID 43484668
1-(cyclohexen-1-yl)-1-[4-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 62080331
1-[4-(difluoromethoxy)phenyl]-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105026047
1-[4-(difluoromethoxy)phenyl]-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 115852459
1-[4-(difluoromethoxy)phenyl]-N-methyl-1-(2-methylthiophen-3-yl)methanamine
CID 102840490

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-1-(4-ethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-1-(4-ethylphenyl)-N-methylmethanamine (CID 43484649) is 1-[4-(difluoromethoxy)phenyl]-1-(4-ethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-1-(4-ethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-1-(4-ethylphenyl)-N-methylmethanamine is CCc1ccc(C(NC)c2ccc(OC(F)F)cc2)cc1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-1-(4-ethylphenyl)-N-methylmethanamine?
The InChIKey is CLARFVYEFQIPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-3-12-4-6-13(7-5-12)16(20-2)14-8-10-15(11-9-14)21-17(18)19/h4-11,16-17,20H,3H2,1-2H3.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-1-(4-ethylphenyl)-N-methylmethanamine?
1-[4-(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-[4-(difluoromethoxy)phenyl]-1-(4-ethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 43484649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).