2-(3,4-difluorophenyl)-1-(3-ethoxyphenyl)-N-methylethanamine

C17H19F2NO — CID 82916536

IUPAC2-(3,4-difluorophenyl)-1-(3-ethoxyphenyl)-N-methylethanamine
SMILESCCOc1cccc(C(Cc2ccc(F)c(F)c2)NC)c1
InChIInChI=1S/C17H19F2NO/c1-3-21-14-6-4-5-13(11-14)17(20-2)10-12-7-8-15(18)16(19)9-12/h4-9,11,17,20H,3,10H2,1-2H3
InChIKeyVDRBGNOCPJXBQR-UHFFFAOYSA-N
MW291.34 g/mol
LogP3.87
Rot. Bonds6

About 2-(3,4-difluorophenyl)-1-(3-ethoxyphenyl)-N-methylethanamine

2-(3,4-difluorophenyl)-1-(3-ethoxyphenyl)-N-methylethanamine (PubChem CID 82916536) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-1-(3-ethoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-1-(3-ethoxyphenyl)-N-methylethanamine
PubChem CID82916536
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC Name2-(3,4-difluorophenyl)-1-(3-ethoxyphenyl)-N-methylethanamine
SMILESCCOc1cccc(C(Cc2ccc(F)c(F)c2)NC)c1
InChIInChI=1S/C17H19F2NO/c1-3-21-14-6-4-5-13(11-14)17(20-2)10-12-7-8-15(18)16(19)9-12/h4-9,11,17,20H,3,10H2,1-2H3
InChIKeyVDRBGNOCPJXBQR-UHFFFAOYSA-N
XLogP3.87
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 ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenyl)-1-(3-ethoxyphenyl)-N-methylethanamine
CID 60818609
2-(3-bromo-4-fluorophenyl)-1-(4-ethoxyphenyl)-N-methylethanamine
CID 115818655
2-(4-chlorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylethanamine
CID 61065024
1-(3,4-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 62602257
1-(4-chlorophenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 60864424
2-(4-fluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 60799315
1-(3,4-difluorophenyl)-N-methyl-2-phenylethanamine
CID 43484623
1-(3-ethoxyphenyl)-N-methyloctan-1-amine
CID 63414282
1-(3-ethoxyphenyl)-N-methylnonan-1-amine
CID 63414326
2-(3,5-difluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 61496504
1-(3-chlorophenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 60818995
1-[3-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)-N-methylethanamine
CID 61065406

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-1-(3-ethoxyphenyl)-N-methylethanamine?
The IUPAC name of 2-(3,4-difluorophenyl)-1-(3-ethoxyphenyl)-N-methylethanamine (CID 82916536) is 2-(3,4-difluorophenyl)-1-(3-ethoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(3,4-difluorophenyl)-1-(3-ethoxyphenyl)-N-methylethanamine?
The canonical SMILES for 2-(3,4-difluorophenyl)-1-(3-ethoxyphenyl)-N-methylethanamine is CCOc1cccc(C(Cc2ccc(F)c(F)c2)NC)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)-1-(3-ethoxyphenyl)-N-methylethanamine?
The InChIKey is VDRBGNOCPJXBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-3-21-14-6-4-5-13(11-14)17(20-2)10-12-7-8-15(18)16(19)9-12/h4-9,11,17,20H,3,10H2,1-2H3.
What are the key properties of 2-(3,4-difluorophenyl)-1-(3-ethoxyphenyl)-N-methylethanamine?
2-(3,4-difluorophenyl)-1-(3-ethoxyphenyl)-N-methylethanamine has a molecular weight of 291.34 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-1-(3-ethoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 82916536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).