1-(3-fluorophenyl)-2-(2-methoxy-4,6-dimethylphenyl)propan-2-amine

C18H22FNO — CID 106679885

IUPAC1-(3-fluorophenyl)-2-(2-methoxy-4,6-dimethylphenyl)propan-2-amine
SMILESCOc1cc(C)cc(C)c1C(C)(N)Cc1cccc(F)c1
InChIInChI=1S/C18H22FNO/c1-12-8-13(2)17(16(9-12)21-4)18(3,20)11-14-6-5-7-15(19)10-14/h5-10H,11,20H2,1-4H3
InChIKeyHUWYKBQHKJQLTQ-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.87
Rot. Bonds4

About 1-(3-fluorophenyl)-2-(2-methoxy-4,6-dimethylphenyl)propan-2-amine

1-(3-fluorophenyl)-2-(2-methoxy-4,6-dimethylphenyl)propan-2-amine (PubChem CID 106679885) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-(2-methoxy-4,6-dimethylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-(2-methoxy-4,6-dimethylphenyl)propan-2-amine
PubChem CID106679885
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name1-(3-fluorophenyl)-2-(2-methoxy-4,6-dimethylphenyl)propan-2-amine
SMILESCOc1cc(C)cc(C)c1C(C)(N)Cc1cccc(F)c1
InChIInChI=1S/C18H22FNO/c1-12-8-13(2)17(16(9-12)21-4)18(3,20)11-14-6-5-7-15(19)10-14/h5-10H,11,20H2,1-4H3
InChIKeyHUWYKBQHKJQLTQ-UHFFFAOYSA-N
XLogP3.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-3-methoxyphenyl)-1-(3-fluorophenyl)propan-2-amine
CID 114834072
1,2-bis(3-fluorophenyl)propan-2-amine
CID 60799225
1-(3-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)propan-2-amine
CID 62621995
1-(3-fluorophenyl)-3-(2-methoxy-5-methylphenyl)-2-methylpropan-2-ol
CID 114833348
1-(3-fluorophenyl)-2-(2-methylthiophen-3-yl)propan-2-amine
CID 102830555
1-(2-methoxy-4,6-dimethylphenyl)-1-phenylbutan-1-amine
CID 106679845
1-(3-fluorophenyl)-2-methyl-3-phenylpropan-2-amine
CID 115608470
1-(2-methoxy-4,6-dimethylphenyl)-2-methylpropan-2-amine
CID 82470482
2-(2-bromophenyl)-1-(3-fluorophenyl)propan-2-amine
CID 60799082
azane;1-(2,2-dimethylpropyl)-3-fluorobenzene
CID 174720332
2-cyclopentyl-1-(3-fluorophenyl)propan-2-amine
CID 114834091
2-(3-fluoro-4-methoxyphenyl)-1-(3-fluorophenyl)propan-2-ol
CID 114833315

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-(2-methoxy-4,6-dimethylphenyl)propan-2-amine?
The IUPAC name of 1-(3-fluorophenyl)-2-(2-methoxy-4,6-dimethylphenyl)propan-2-amine (CID 106679885) is 1-(3-fluorophenyl)-2-(2-methoxy-4,6-dimethylphenyl)propan-2-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-2-(2-methoxy-4,6-dimethylphenyl)propan-2-amine?
The canonical SMILES for 1-(3-fluorophenyl)-2-(2-methoxy-4,6-dimethylphenyl)propan-2-amine is COc1cc(C)cc(C)c1C(C)(N)Cc1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-2-(2-methoxy-4,6-dimethylphenyl)propan-2-amine?
The InChIKey is HUWYKBQHKJQLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-12-8-13(2)17(16(9-12)21-4)18(3,20)11-14-6-5-7-15(19)10-14/h5-10H,11,20H2,1-4H3.
What are the key properties of 1-(3-fluorophenyl)-2-(2-methoxy-4,6-dimethylphenyl)propan-2-amine?
1-(3-fluorophenyl)-2-(2-methoxy-4,6-dimethylphenyl)propan-2-amine has a molecular weight of 287.38 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-(2-methoxy-4,6-dimethylphenyl)propan-2-amine is sourced from PubChem (CID 106679885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).