2-(3,5-difluorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine

C18H21F2N — CID 63416877

IUPAC2-(3,5-difluorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine
SMILESCCNC(Cc1cc(F)cc(F)c1)c1ccc(C)c(C)c1
InChIInChI=1S/C18H21F2N/c1-4-21-18(15-6-5-12(2)13(3)7-15)10-14-8-16(19)11-17(20)9-14/h5-9,11,18,21H,4,10H2,1-3H3
InChIKeyBCYMARRLUDYQFH-UHFFFAOYSA-N
MW289.37 g/mol
LogP4.47
Rot. Bonds5

About 2-(3,5-difluorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine

2-(3,5-difluorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine (PubChem CID 63416877) has the molecular formula C18H21F2N and a molecular weight of 289.37 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine
PubChem CID63416877
Molecular FormulaC18H21F2N
Molecular Weight289.37 g/mol
Exact Mass289.16
IUPAC Name2-(3,5-difluorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine
SMILESCCNC(Cc1cc(F)cc(F)c1)c1ccc(C)c(C)c1
InChIInChI=1S/C18H21F2N/c1-4-21-18(15-6-5-12(2)13(3)7-15)10-14-8-16(19)11-17(20)9-14/h5-9,11,18,21H,4,10H2,1-3H3
InChIKeyBCYMARRLUDYQFH-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-3-methylphenyl)-2-(3,5-difluorophenyl)-N-ethylethanamine
CID 105412567
1-(3,4-dimethylphenyl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 43487935
2-(3,5-difluorophenyl)-N-ethyl-1-(4-ethylphenyl)ethanamine
CID 63416924
1-(4-bromo-3-fluorophenyl)-2-(3,5-difluorophenyl)-N-ethylethanamine
CID 105412447
2-(4-chloro-3-fluorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 107891438
2-(3-bromo-5-fluorophenyl)-1-(3-chloro-4-methylphenyl)-N-ethylethanamine
CID 105015730
2-(3,4-dimethylphenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine
CID 63414289
2-(3,5-difluorophenyl)-1-(2,5-dimethylphenyl)-N-ethylethanamine
CID 63416923
2-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 63415582
2-(3-chlorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 63412120
N-ethyl-1-(4-fluoro-3,5-dimethylphenyl)-2-(4-fluorophenyl)ethanamine
CID 65296774
[1-(4-bromo-3-methylphenyl)-2-(3,5-difluorophenyl)ethyl]hydrazine
CID 105413062

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine?
The IUPAC name of 2-(3,5-difluorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine (CID 63416877) is 2-(3,5-difluorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine.
What is the SMILES notation for 2-(3,5-difluorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine?
The canonical SMILES for 2-(3,5-difluorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine is CCNC(Cc1cc(F)cc(F)c1)c1ccc(C)c(C)c1.
What is the InChIKey of 2-(3,5-difluorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine?
The InChIKey is BCYMARRLUDYQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N/c1-4-21-18(15-6-5-12(2)13(3)7-15)10-14-8-16(19)11-17(20)9-14/h5-9,11,18,21H,4,10H2,1-3H3.
What are the key properties of 2-(3,5-difluorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine?
2-(3,5-difluorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine has a molecular weight of 289.37 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine is sourced from PubChem (CID 63416877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).