(2,6-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanamine

C16H18FNO3 — CID 43122398

IUPAC(2,6-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanamine
SMILESCOc1ccc(F)cc1C(N)c1c(OC)cccc1OC
InChIInChI=1S/C16H18FNO3/c1-19-12-8-7-10(17)9-11(12)16(18)15-13(20-2)5-4-6-14(15)21-3/h4-9,16H,18H2,1-3H3
InChIKeyYMGUOKAHHRDDSE-UHFFFAOYSA-N
MW291.32 g/mol
LogP2.90
Rot. Bonds5

About (2,6-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanamine

(2,6-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanamine (PubChem CID 43122398) has the molecular formula C16H18FNO3 and a molecular weight of 291.32 g/mol. Its IUPAC name is (2,6-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(2,6-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanamine
PubChem CID43122398
Molecular FormulaC16H18FNO3
Molecular Weight291.32 g/mol
Exact Mass291.13
IUPAC Name(2,6-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanamine
SMILESCOc1ccc(F)cc1C(N)c1c(OC)cccc1OC
InChIInChI=1S/C16H18FNO3/c1-19-12-8-7-10(17)9-11(12)16(18)15-13(20-2)5-4-6-14(15)21-3/h4-9,16H,18H2,1-3H3
InChIKeyYMGUOKAHHRDDSE-UHFFFAOYSA-N
XLogP2.90
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,6-difluorophenyl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 43122336
(2,6-dimethoxyphenyl)-(2-methoxy-5-methylphenyl)methanamine
CID 43626072
(2-fluoro-6-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanamine
CID 65434780
(3-bromo-2-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 107950245
(2,6-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanamine
CID 105051988
(2,6-dimethoxyphenyl)-(2,4,5-trifluorophenyl)methanamine
CID 103301943
2-[chloro-(2,6-dimethoxyphenyl)methyl]-4-fluoro-1-methoxybenzene
CID 61085421
2-[chloro-(2-fluoro-6-methoxyphenyl)methyl]-4-fluoro-1-methoxybenzene
CID 65434058
amino-(5-fluoro-2-methoxyphenyl)methanethiol
CID 116939436
(5-fluoro-2-methoxyphenyl)-thiophen-2-ylmethanamine
CID 43464539
(5-fluoro-2-methoxyphenyl)-(4-methoxyphenyl)methanamine
CID 43122364
(5-chloro-2-fluorophenyl)-(2,6-dimethoxyphenyl)methanamine
CID 114885870

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanamine?
The IUPAC name of (2,6-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanamine (CID 43122398) is (2,6-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanamine.
What is the SMILES notation for (2,6-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanamine?
The canonical SMILES for (2,6-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanamine is COc1ccc(F)cc1C(N)c1c(OC)cccc1OC.
What is the InChIKey of (2,6-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanamine?
The InChIKey is YMGUOKAHHRDDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3/c1-19-12-8-7-10(17)9-11(12)16(18)15-13(20-2)5-4-6-14(15)21-3/h4-9,16H,18H2,1-3H3.
What are the key properties of (2,6-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanamine?
(2,6-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanamine has a molecular weight of 291.32 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanamine is sourced from PubChem (CID 43122398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).