(3-fluoro-5-methylphenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine

C17H20FNO — CID 103433807

IUPAC(3-fluoro-5-methylphenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
SMILESCOc1c(C(N)c2cc(C)cc(F)c2)ccc(C)c1C
InChIInChI=1S/C17H20FNO/c1-10-7-13(9-14(18)8-10)16(19)15-6-5-11(2)12(3)17(15)20-4/h5-9,16H,19H2,1-4H3
InChIKeyRACHKBYDWGCTAC-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.81
Rot. Bonds3

About (3-fluoro-5-methylphenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine

(3-fluoro-5-methylphenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine (PubChem CID 103433807) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is (3-fluoro-5-methylphenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(3-fluoro-5-methylphenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
PubChem CID103433807
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name(3-fluoro-5-methylphenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
SMILESCOc1c(C(N)c2cc(C)cc(F)c2)ccc(C)c1C
InChIInChI=1S/C17H20FNO/c1-10-7-13(9-14(18)8-10)16(19)15-6-5-11(2)12(3)17(15)20-4/h5-9,16H,19H2,1-4H3
InChIKeyRACHKBYDWGCTAC-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

(3-fluoro-5-methylphenyl)-(2-methoxy-3,4-dimethylphenyl)methanol
CID 103433209
(2,6-dimethyl-4-pyridinyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 107503056
(4-chloro-2-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 103433501
(4-chloro-2-methoxyphenyl)-(3-fluoro-5-methylphenyl)methanamine
CID 105016596
4-[amino-(2-methoxy-3,4-dimethylphenyl)methyl]-N,N-dimethylaniline
CID 103435266
(2-chloro-4-methylphenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 106858983
(2,3-difluoro-4-methylphenyl)-(3,5-dimethylphenyl)methanamine
CID 107515958
(5-bromo-3-pyridinyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 103433757
(2-methoxy-3,4-dimethylphenyl)-(4-methyl-2-pyridinyl)methanamine
CID 103433515
(4-fluoro-2-iodophenyl)-(3-fluoro-5-methylphenyl)methanamine
CID 114030220
[(3-chloro-5-methylphenyl)-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine
CID 103436322
2-(2,4-difluorophenyl)-1-(2-methoxy-3,4-dimethylphenyl)ethanamine
CID 103433543

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-5-methylphenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine?
The IUPAC name of (3-fluoro-5-methylphenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine (CID 103433807) is (3-fluoro-5-methylphenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine.
What is the SMILES notation for (3-fluoro-5-methylphenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine?
The canonical SMILES for (3-fluoro-5-methylphenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine is COc1c(C(N)c2cc(C)cc(F)c2)ccc(C)c1C.
What is the InChIKey of (3-fluoro-5-methylphenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine?
The InChIKey is RACHKBYDWGCTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-10-7-13(9-14(18)8-10)16(19)15-6-5-11(2)12(3)17(15)20-4/h5-9,16H,19H2,1-4H3.
What are the key properties of (3-fluoro-5-methylphenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine?
(3-fluoro-5-methylphenyl)-(2-methoxy-3,4-dimethylphenyl)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 (3-fluoro-5-methylphenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine is sourced from PubChem (CID 103433807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).