N-ethyl-1-(3-fluoro-5-methylphenyl)-2-(4-methylphenyl)ethanamine

C18H22FN — CID 79704346

IUPACN-ethyl-1-(3-fluoro-5-methylphenyl)-2-(4-methylphenyl)ethanamine
SMILESCCNC(Cc1ccc(C)cc1)c1cc(C)cc(F)c1
InChIInChI=1S/C18H22FN/c1-4-20-18(11-15-7-5-13(2)6-8-15)16-9-14(3)10-17(19)12-16/h5-10,12,18,20H,4,11H2,1-3H3
InChIKeyUQZSRWMWTJYWHZ-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.34
Rot. Bonds5

About N-ethyl-1-(3-fluoro-5-methylphenyl)-2-(4-methylphenyl)ethanamine

N-ethyl-1-(3-fluoro-5-methylphenyl)-2-(4-methylphenyl)ethanamine (PubChem CID 79704346) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is N-ethyl-1-(3-fluoro-5-methylphenyl)-2-(4-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(3-fluoro-5-methylphenyl)-2-(4-methylphenyl)ethanamine
PubChem CID79704346
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC NameN-ethyl-1-(3-fluoro-5-methylphenyl)-2-(4-methylphenyl)ethanamine
SMILESCCNC(Cc1ccc(C)cc1)c1cc(C)cc(F)c1
InChIInChI=1S/C18H22FN/c1-4-20-18(11-15-7-5-13(2)6-8-15)16-9-14(3)10-17(19)12-16/h5-10,12,18,20H,4,11H2,1-3H3
InChIKeyUQZSRWMWTJYWHZ-UHFFFAOYSA-N
XLogP4.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3,5-difluorophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 63417284
N-ethyl-1-(3-fluoro-5-methylphenyl)-2-(furan-3-yl)ethanamine
CID 83182969
N-ethyl-2-(4-methylphenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 43490356
N-ethyl-1-(4-fluoro-3,5-dimethylphenyl)-2-(4-fluorophenyl)ethanamine
CID 65296774
N-ethyl-1-(3-fluoro-5-methylphenyl)butan-1-amine
CID 79705267
1-(3,4-dimethylphenyl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 43487935
1-(3-bromo-5-fluorophenyl)-N-ethyl-2-(4-iodophenyl)ethanamine
CID 66426048
1-(3,5-dimethylphenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine
CID 105097119
N-ethyl-1-(3-fluoro-5-methylphenyl)-2-propan-2-ylsulfanylethanamine
CID 79704702
2-(3,5-difluorophenyl)-N-ethyl-1-(4-ethylphenyl)ethanamine
CID 63416924
1-(3,5-dimethylphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 61065954
2-(3-bromo-5-fluorophenyl)-1-(3-chloro-5-methylphenyl)-N-ethylethanamine
CID 105015428

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-fluoro-5-methylphenyl)-2-(4-methylphenyl)ethanamine?
The IUPAC name of N-ethyl-1-(3-fluoro-5-methylphenyl)-2-(4-methylphenyl)ethanamine (CID 79704346) is N-ethyl-1-(3-fluoro-5-methylphenyl)-2-(4-methylphenyl)ethanamine.
What is the SMILES notation for N-ethyl-1-(3-fluoro-5-methylphenyl)-2-(4-methylphenyl)ethanamine?
The canonical SMILES for N-ethyl-1-(3-fluoro-5-methylphenyl)-2-(4-methylphenyl)ethanamine is CCNC(Cc1ccc(C)cc1)c1cc(C)cc(F)c1.
What is the InChIKey of N-ethyl-1-(3-fluoro-5-methylphenyl)-2-(4-methylphenyl)ethanamine?
The InChIKey is UQZSRWMWTJYWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-4-20-18(11-15-7-5-13(2)6-8-15)16-9-14(3)10-17(19)12-16/h5-10,12,18,20H,4,11H2,1-3H3.
What are the key properties of N-ethyl-1-(3-fluoro-5-methylphenyl)-2-(4-methylphenyl)ethanamine?
N-ethyl-1-(3-fluoro-5-methylphenyl)-2-(4-methylphenyl)ethanamine has a molecular weight of 271.38 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-fluoro-5-methylphenyl)-2-(4-methylphenyl)ethanamine is sourced from PubChem (CID 79704346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).