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

C18H21F2N — CID 63416923

IUPAC2-(3,5-difluorophenyl)-1-(2,5-dimethylphenyl)-N-ethylethanamine
SMILESCCNC(Cc1cc(F)cc(F)c1)c1cc(C)ccc1C
InChIInChI=1S/C18H21F2N/c1-4-21-18(17-7-12(2)5-6-13(17)3)10-14-8-15(19)11-16(20)9-14/h5-9,11,18,21H,4,10H2,1-3H3
InChIKeyNMPKLTDFSCZAQK-UHFFFAOYSA-N
MW289.37 g/mol
LogP4.47
Rot. Bonds5

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

2-(3,5-difluorophenyl)-1-(2,5-dimethylphenyl)-N-ethylethanamine (PubChem CID 63416923) has the molecular formula C18H21F2N and a molecular weight of 289.37 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-1-(2,5-dimethylphenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-1-(2,5-dimethylphenyl)-N-ethylethanamine
PubChem CID63416923
Molecular FormulaC18H21F2N
Molecular Weight289.37 g/mol
Exact Mass289.16
IUPAC Name2-(3,5-difluorophenyl)-1-(2,5-dimethylphenyl)-N-ethylethanamine
SMILESCCNC(Cc1cc(F)cc(F)c1)c1cc(C)ccc1C
InChIInChI=1S/C18H21F2N/c1-4-21-18(17-7-12(2)5-6-13(17)3)10-14-8-15(19)11-16(20)9-14/h5-9,11,18,21H,4,10H2,1-3H3
InChIKeyNMPKLTDFSCZAQK-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

2-(3-bromo-5-fluorophenyl)-1-(2-bromo-5-methylphenyl)-N-ethylethanamine
CID 105015550
2-(3,5-difluorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 63416877
1-(2,5-dimethylphenyl)-N-ethylpropan-1-amine
CID 43490783
2-(3,5-difluorophenyl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
CID 105406974
2-(4-chlorophenyl)-N-ethyl-1-(2-fluoro-5-methylphenyl)ethanamine
CID 63412865
2-(2,6-dichlorophenyl)-1-(2,5-dimethylphenyl)-N-ethylethanamine
CID 63415329
1-(4-bromo-3-methylphenyl)-2-(3,5-difluorophenyl)-N-ethylethanamine
CID 105412567
1-(2,5-dimethylphenyl)-N-ethyl-4-methylpentan-1-amine
CID 43490798
2-(3,5-difluorophenyl)-N-ethyl-1-(5-methylpyrimidin-2-yl)ethanamine
CID 105406857
1-(2,5-dimethylphenyl)-N-ethyl-2-thiophen-2-ylethanamine
CID 61064099
N-ethyl-1-(2-fluoro-5-methylphenyl)-2-(2-methylphenyl)ethanamine
CID 63416854
2-(3,5-difluorophenyl)-N-ethyl-1-(4-ethylphenyl)ethanamine
CID 63416924

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-1-(2,5-dimethylphenyl)-N-ethylethanamine?
The IUPAC name of 2-(3,5-difluorophenyl)-1-(2,5-dimethylphenyl)-N-ethylethanamine (CID 63416923) is 2-(3,5-difluorophenyl)-1-(2,5-dimethylphenyl)-N-ethylethanamine.
What is the SMILES notation for 2-(3,5-difluorophenyl)-1-(2,5-dimethylphenyl)-N-ethylethanamine?
The canonical SMILES for 2-(3,5-difluorophenyl)-1-(2,5-dimethylphenyl)-N-ethylethanamine is CCNC(Cc1cc(F)cc(F)c1)c1cc(C)ccc1C.
What is the InChIKey of 2-(3,5-difluorophenyl)-1-(2,5-dimethylphenyl)-N-ethylethanamine?
The InChIKey is NMPKLTDFSCZAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N/c1-4-21-18(17-7-12(2)5-6-13(17)3)10-14-8-15(19)11-16(20)9-14/h5-9,11,18,21H,4,10H2,1-3H3.
What are the key properties of 2-(3,5-difluorophenyl)-1-(2,5-dimethylphenyl)-N-ethylethanamine?
2-(3,5-difluorophenyl)-1-(2,5-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-(2,5-dimethylphenyl)-N-ethylethanamine is sourced from PubChem (CID 63416923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).