1-(2-fluoro-3-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanamine

C17H20FNO — CID 115826307

IUPAC1-(2-fluoro-3-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanamine
SMILESCOc1ccc(C)cc1CC(N)c1cccc(C)c1F
InChIInChI=1S/C17H20FNO/c1-11-7-8-16(20-3)13(9-11)10-15(19)14-6-4-5-12(2)17(14)18/h4-9,15H,10,19H2,1-3H3
InChIKeyBBQQRMBGTITMJI-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.69
Rot. Bonds4

About 1-(2-fluoro-3-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanamine

1-(2-fluoro-3-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanamine (PubChem CID 115826307) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 1-(2-fluoro-3-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(2-fluoro-3-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanamine
PubChem CID115826307
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name1-(2-fluoro-3-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanamine
SMILESCOc1ccc(C)cc1CC(N)c1cccc(C)c1F
InChIInChI=1S/C17H20FNO/c1-11-7-8-16(20-3)13(9-11)10-15(19)14-6-4-5-12(2)17(14)18/h4-9,15H,10,19H2,1-3H3
InChIKeyBBQQRMBGTITMJI-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

1-(2,3-difluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 115826541
1-(2-bromo-3-fluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 115826712
2-(4-fluoro-2-methylphenyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 105050993
1-(5-bromo-2-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 115826789
2-(2-bromo-5-fluorophenyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 115843576
1-(3-chloro-2-fluorophenyl)-2-(2,5-dimethylphenyl)ethanamine
CID 64713976
2-(5-bromo-2-methoxyphenyl)-1-(2-bromo-3-methylphenyl)ethanamine
CID 107984787
2-[3-chloro-2-(2-methylphenyl)propyl]-1-methoxy-4-methylbenzene
CID 79418764
2-fluoro-1-[(2-methoxy-5-methylphenyl)methoxy]-3-methylbenzene
CID 107662038
2-(2-fluoro-3-methoxyphenyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 105035571
1-(3,6-dimethylpyridazin-4-yl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 105118214
2-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)ethanamine
CID 62602782

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanamine?
The IUPAC name of 1-(2-fluoro-3-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanamine (CID 115826307) is 1-(2-fluoro-3-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanamine.
What is the SMILES notation for 1-(2-fluoro-3-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanamine?
The canonical SMILES for 1-(2-fluoro-3-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanamine is COc1ccc(C)cc1CC(N)c1cccc(C)c1F.
What is the InChIKey of 1-(2-fluoro-3-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanamine?
The InChIKey is BBQQRMBGTITMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-11-7-8-16(20-3)13(9-11)10-15(19)14-6-4-5-12(2)17(14)18/h4-9,15H,10,19H2,1-3H3.
What are the key properties of 1-(2-fluoro-3-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanamine?
1-(2-fluoro-3-methylphenyl)-2-(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 1-(2-fluoro-3-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanamine is sourced from PubChem (CID 115826307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).