2-(3,5-difluorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine

C17H19F2NO — CID 105412582

IUPAC2-(3,5-difluorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1cc(F)cc(F)c1)c1ccc(C)c(OC)c1
InChIInChI=1S/C17H19F2NO/c1-11-4-5-13(9-17(11)21-3)16(20-2)8-12-6-14(18)10-15(19)7-12/h4-7,9-10,16,20H,8H2,1-3H3
InChIKeyBANXDHQNPTZEKR-UHFFFAOYSA-N
MW291.34 g/mol
LogP3.79
Rot. Bonds5

About 2-(3,5-difluorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine

2-(3,5-difluorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine (PubChem CID 105412582) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine
PubChem CID105412582
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC Name2-(3,5-difluorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1cc(F)cc(F)c1)c1ccc(C)c(OC)c1
InChIInChI=1S/C17H19F2NO/c1-11-4-5-13(9-17(11)21-3)16(20-2)8-12-6-14(18)10-15(19)7-12/h4-7,9-10,16,20H,8H2,1-3H3
InChIKeyBANXDHQNPTZEKR-UHFFFAOYSA-N
XLogP3.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3,5-difluorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-fluorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine
CID 61066475
[2-(3,5-difluorophenyl)-1-(3-methoxy-4-methylphenyl)ethyl]hydrazine
CID 105413049
2-(4-chloro-3-fluorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine
CID 107891735
2-(4-bromophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine
CID 61065671
2-(3,5-difluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 61496504
2-(3-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylethanamine
CID 43487445
1-(3,4-difluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 62802846
1-(3,4-dimethylphenyl)-2-(3-fluorophenyl)-N-methylethanamine
CID 43480184
1-(3-chloro-4-fluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 105406135
2-(3,5-difluorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 63416877
1-(4-fluoro-3-methoxyphenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 81288682
2-(5-bromothiophen-2-yl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine
CID 115841037

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine?
The IUPAC name of 2-(3,5-difluorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine (CID 105412582) is 2-(3,5-difluorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(3,5-difluorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(3,5-difluorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine is CNC(Cc1cc(F)cc(F)c1)c1ccc(C)c(OC)c1.
What is the InChIKey of 2-(3,5-difluorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine?
The InChIKey is BANXDHQNPTZEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-11-4-5-13(9-17(11)21-3)16(20-2)8-12-6-14(18)10-15(19)7-12/h4-7,9-10,16,20H,8H2,1-3H3.
What are the key properties of 2-(3,5-difluorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine?
2-(3,5-difluorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine has a molecular weight of 291.34 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 105412582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).