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

C17H20FNO — CID 105032758

IUPAC(2-fluoro-5-methylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
SMILESCOc1cc(C)c(C(N)c2cc(C)ccc2F)cc1C
InChIInChI=1S/C17H20FNO/c1-10-5-6-15(18)14(7-10)17(19)13-8-12(3)16(20-4)9-11(13)2/h5-9,17H,19H2,1-4H3
InChIKeyUKIYAPGPXRLNAE-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.81
Rot. Bonds3

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

(2-fluoro-5-methylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine (PubChem CID 105032758) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is (2-fluoro-5-methylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(2-fluoro-5-methylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
PubChem CID105032758
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name(2-fluoro-5-methylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
SMILESCOc1cc(C)c(C(N)c2cc(C)ccc2F)cc1C
InChIInChI=1S/C17H20FNO/c1-10-5-6-15(18)14(7-10)17(19)13-8-12(3)16(20-4)9-11(13)2/h5-9,17H,19H2,1-4H3
InChIKeyUKIYAPGPXRLNAE-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

(4,5-dimethoxy-2-methylphenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 62514648
(2,4-difluoro-5-methylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 105032726
(4-chloro-2-methoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 115852897
(2-fluoro-5-methylphenyl)-(4-methoxy-2-methylphenyl)methanamine
CID 62514630
(4-bromo-2,5-dimethoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 105056543
(3,4-dimethoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 62514449
(3,5-dimethylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 105032704
(2-bromo-5-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 105032943
(2-bromo-4-chlorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 107995034
(4-chloro-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanamine
CID 43626661
(2-fluoro-5-methylphenyl)-(2,4,6-trimethylphenyl)methanamine
CID 62515845
(2-fluoro-5-methylphenyl)-(2,3,4-trifluorophenyl)methanamine
CID 115852670

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-5-methylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine?
The IUPAC name of (2-fluoro-5-methylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine (CID 105032758) is (2-fluoro-5-methylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine.
What is the SMILES notation for (2-fluoro-5-methylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine?
The canonical SMILES for (2-fluoro-5-methylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine is COc1cc(C)c(C(N)c2cc(C)ccc2F)cc1C.
What is the InChIKey of (2-fluoro-5-methylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine?
The InChIKey is UKIYAPGPXRLNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-10-5-6-15(18)14(7-10)17(19)13-8-12(3)16(20-4)9-11(13)2/h5-9,17H,19H2,1-4H3.
What are the key properties of (2-fluoro-5-methylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine?
(2-fluoro-5-methylphenyl)-(4-methoxy-2,5-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 (2-fluoro-5-methylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine is sourced from PubChem (CID 105032758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).