(2-fluoro-4,5-dimethoxyphenyl)-(5-fluoro-2-methylphenyl)methanamine

C16H17F2NO2 — CID 63048771

IUPAC(2-fluoro-4,5-dimethoxyphenyl)-(5-fluoro-2-methylphenyl)methanamine
SMILESCOc1cc(F)c(C(N)c2cc(F)ccc2C)cc1OC
InChIInChI=1S/C16H17F2NO2/c1-9-4-5-10(17)6-11(9)16(19)12-7-14(20-2)15(21-3)8-13(12)18/h4-8,16H,19H2,1-3H3
InChIKeyMWVAMOZDEJFADM-UHFFFAOYSA-N
MW293.31 g/mol
LogP3.34
Rot. Bonds4

About (2-fluoro-4,5-dimethoxyphenyl)-(5-fluoro-2-methylphenyl)methanamine

(2-fluoro-4,5-dimethoxyphenyl)-(5-fluoro-2-methylphenyl)methanamine (PubChem CID 63048771) has the molecular formula C16H17F2NO2 and a molecular weight of 293.31 g/mol. Its IUPAC name is (2-fluoro-4,5-dimethoxyphenyl)-(5-fluoro-2-methylphenyl)methanamine.

Molecular Properties

Compound Name(2-fluoro-4,5-dimethoxyphenyl)-(5-fluoro-2-methylphenyl)methanamine
PubChem CID63048771
Molecular FormulaC16H17F2NO2
Molecular Weight293.31 g/mol
Exact Mass293.12
IUPAC Name(2-fluoro-4,5-dimethoxyphenyl)-(5-fluoro-2-methylphenyl)methanamine
SMILESCOc1cc(F)c(C(N)c2cc(F)ccc2C)cc1OC
InChIInChI=1S/C16H17F2NO2/c1-9-4-5-10(17)6-11(9)16(19)12-7-14(20-2)15(21-3)8-13(12)18/h4-8,16H,19H2,1-3H3
InChIKeyMWVAMOZDEJFADM-UHFFFAOYSA-N
XLogP3.34
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,4-difluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 62867795
(4-fluoro-3-methoxyphenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 115851839
(5-bromo-2-methoxy-4-methylphenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 65440106
(4,5-dimethoxy-2-methylphenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 62514648
(4-chloro-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 62865509
(4-chloro-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanamine
CID 43626661
(3-chloro-4-methoxyphenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 63047550
(2-chloro-4-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 106861063
(2-bromophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 62867793
(2,4-difluorophenyl)-(2-methoxy-4-methylphenyl)methanamine
CID 106791413
(2-bromo-5-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 105032943
(2,4-difluoro-5-methylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 105032726

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4,5-dimethoxyphenyl)-(5-fluoro-2-methylphenyl)methanamine?
The IUPAC name of (2-fluoro-4,5-dimethoxyphenyl)-(5-fluoro-2-methylphenyl)methanamine (CID 63048771) is (2-fluoro-4,5-dimethoxyphenyl)-(5-fluoro-2-methylphenyl)methanamine.
What is the SMILES notation for (2-fluoro-4,5-dimethoxyphenyl)-(5-fluoro-2-methylphenyl)methanamine?
The canonical SMILES for (2-fluoro-4,5-dimethoxyphenyl)-(5-fluoro-2-methylphenyl)methanamine is COc1cc(F)c(C(N)c2cc(F)ccc2C)cc1OC.
What is the InChIKey of (2-fluoro-4,5-dimethoxyphenyl)-(5-fluoro-2-methylphenyl)methanamine?
The InChIKey is MWVAMOZDEJFADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO2/c1-9-4-5-10(17)6-11(9)16(19)12-7-14(20-2)15(21-3)8-13(12)18/h4-8,16H,19H2,1-3H3.
What are the key properties of (2-fluoro-4,5-dimethoxyphenyl)-(5-fluoro-2-methylphenyl)methanamine?
(2-fluoro-4,5-dimethoxyphenyl)-(5-fluoro-2-methylphenyl)methanamine has a molecular weight of 293.31 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4,5-dimethoxyphenyl)-(5-fluoro-2-methylphenyl)methanamine is sourced from PubChem (CID 63048771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).