(4-fluoro-3,5-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanamine

C17H20FNO — CID 65298951

IUPAC(4-fluoro-3,5-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanamine
SMILESCOc1cc(C(N)c2cc(C)c(F)c(C)c2)ccc1C
InChIInChI=1S/C17H20FNO/c1-10-5-6-13(9-15(10)20-4)17(19)14-7-11(2)16(18)12(3)8-14/h5-9,17H,19H2,1-4H3
InChIKeyIKGOBCAOZAJBMA-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.81
Rot. Bonds3

About (4-fluoro-3,5-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanamine

(4-fluoro-3,5-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanamine (PubChem CID 65298951) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is (4-fluoro-3,5-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanamine.

Molecular Properties

Compound Name(4-fluoro-3,5-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanamine
PubChem CID65298951
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name(4-fluoro-3,5-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanamine
SMILESCOc1cc(C(N)c2cc(C)c(F)c(C)c2)ccc1C
InChIInChI=1S/C17H20FNO/c1-10-5-6-13(9-15(10)20-4)17(19)14-7-11(2)16(18)12(3)8-14/h5-9,17H,19H2,1-4H3
InChIKeyIKGOBCAOZAJBMA-UHFFFAOYSA-N
XLogP3.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methoxy-3,5-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanamine
CID 83044207
(4-fluoro-3-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanamine
CID 81283664
(3-methoxy-4-methylphenyl)-pyrimidin-5-ylmethanamine
CID 115827248
(3,4-dimethylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanamine
CID 83056988
2,3-dihydro-1,4-benzodioxin-6-yl-(3-methoxy-4-methylphenyl)methanamine
CID 43186694
(4-chloro-3-methoxyphenyl)-(3,4-dimethylphenyl)methanamine
CID 105006817
(3,4-dimethylphenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024853
(2,4-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanamine
CID 43198537
cyclopenten-1-yl-(3-methoxy-4-methylphenyl)methanamine
CID 62078181
(1S)-1-(3-methoxy-4-methylphenyl)-2,2-dimethylpropan-1-amine
CID 131536439
(1S,2S)-1-(3-methoxy-4-methylphenyl)propane-1,2-diamine
CID 130934760
(4-fluoro-3,5-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 102882911

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3,5-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanamine?
The IUPAC name of (4-fluoro-3,5-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanamine (CID 65298951) is (4-fluoro-3,5-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanamine.
What is the SMILES notation for (4-fluoro-3,5-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanamine?
The canonical SMILES for (4-fluoro-3,5-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanamine is COc1cc(C(N)c2cc(C)c(F)c(C)c2)ccc1C.
What is the InChIKey of (4-fluoro-3,5-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanamine?
The InChIKey is IKGOBCAOZAJBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-10-5-6-13(9-15(10)20-4)17(19)14-7-11(2)16(18)12(3)8-14/h5-9,17H,19H2,1-4H3.
What are the key properties of (4-fluoro-3,5-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanamine?
(4-fluoro-3,5-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanamine has a molecular weight of 273.35 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3,5-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanamine is sourced from PubChem (CID 65298951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).