2-(4-fluoro-2-methylphenyl)-1-(2-methoxy-5-methylphenyl)ethanamine

C17H20FNO — CID 105050993

IUPAC2-(4-fluoro-2-methylphenyl)-1-(2-methoxy-5-methylphenyl)ethanamine
SMILESCOc1ccc(C)cc1C(N)Cc1ccc(F)cc1C
InChIInChI=1S/C17H20FNO/c1-11-4-7-17(20-3)15(8-11)16(19)10-13-5-6-14(18)9-12(13)2/h4-9,16H,10,19H2,1-3H3
InChIKeyCXXZPSFGMRBJEE-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.69
Rot. Bonds4

About 2-(4-fluoro-2-methylphenyl)-1-(2-methoxy-5-methylphenyl)ethanamine

2-(4-fluoro-2-methylphenyl)-1-(2-methoxy-5-methylphenyl)ethanamine (PubChem CID 105050993) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylphenyl)-1-(2-methoxy-5-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-fluoro-2-methylphenyl)-1-(2-methoxy-5-methylphenyl)ethanamine
PubChem CID105050993
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name2-(4-fluoro-2-methylphenyl)-1-(2-methoxy-5-methylphenyl)ethanamine
SMILESCOc1ccc(C)cc1C(N)Cc1ccc(F)cc1C
InChIInChI=1S/C17H20FNO/c1-11-4-7-17(20-3)15(8-11)16(19)10-13-5-6-14(18)9-12(13)2/h4-9,16H,10,19H2,1-3H3
InChIKeyCXXZPSFGMRBJEE-UHFFFAOYSA-N
XLogP3.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-5-fluorophenyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 115843576
2-(2,5-difluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanamine
CID 106791557
1-(2-fluoro-3-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 115826307
N-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine
CID 62134908
1,2-bis(4-fluoro-2-methylphenyl)ethanamine
CID 114348216
1-(2,3-difluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 115826541
2-(2-chloro-4-fluorophenyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 63033863
2-(4-chloro-2-fluorophenyl)-1-(5-chloro-2-methoxyphenyl)ethanamine
CID 105055314
2-(4-fluoro-2-methylphenyl)-1-(2-methoxyphenyl)ethanol
CID 114346762
(4-fluoro-2-methylphenyl)-(2-methoxy-5-methylphenyl)methanol
CID 63899302
(2S)-2-amino-2-(2-methoxy-5-methylphenyl)ethanol
CID 55278412
2-(3,4-dimethoxyphenyl)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 62790885

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylphenyl)-1-(2-methoxy-5-methylphenyl)ethanamine?
The IUPAC name of 2-(4-fluoro-2-methylphenyl)-1-(2-methoxy-5-methylphenyl)ethanamine (CID 105050993) is 2-(4-fluoro-2-methylphenyl)-1-(2-methoxy-5-methylphenyl)ethanamine.
What is the SMILES notation for 2-(4-fluoro-2-methylphenyl)-1-(2-methoxy-5-methylphenyl)ethanamine?
The canonical SMILES for 2-(4-fluoro-2-methylphenyl)-1-(2-methoxy-5-methylphenyl)ethanamine is COc1ccc(C)cc1C(N)Cc1ccc(F)cc1C.
What is the InChIKey of 2-(4-fluoro-2-methylphenyl)-1-(2-methoxy-5-methylphenyl)ethanamine?
The InChIKey is CXXZPSFGMRBJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-11-4-7-17(20-3)15(8-11)16(19)10-13-5-6-14(18)9-12(13)2/h4-9,16H,10,19H2,1-3H3.
What are the key properties of 2-(4-fluoro-2-methylphenyl)-1-(2-methoxy-5-methylphenyl)ethanamine?
2-(4-fluoro-2-methylphenyl)-1-(2-methoxy-5-methylphenyl)ethanamine has a molecular weight of 273.35 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylphenyl)-1-(2-methoxy-5-methylphenyl)ethanamine is sourced from PubChem (CID 105050993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).