(2,6-dimethoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanamine

C16H18FNO3 — CID 43561193

IUPAC(2,6-dimethoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2c(OC)cccc2OC)c(F)c1
InChIInChI=1S/C16H18FNO3/c1-19-10-7-8-11(12(17)9-10)16(18)15-13(20-2)5-4-6-14(15)21-3/h4-9,16H,18H2,1-3H3
InChIKeyZCAUSKRDPAOKTC-UHFFFAOYSA-N
MW291.32 g/mol
LogP2.90
Rot. Bonds5

About (2,6-dimethoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanamine

(2,6-dimethoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanamine (PubChem CID 43561193) has the molecular formula C16H18FNO3 and a molecular weight of 291.32 g/mol. Its IUPAC name is (2,6-dimethoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(2,6-dimethoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
PubChem CID43561193
Molecular FormulaC16H18FNO3
Molecular Weight291.32 g/mol
Exact Mass291.13
IUPAC Name(2,6-dimethoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2c(OC)cccc2OC)c(F)c1
InChIInChI=1S/C16H18FNO3/c1-19-10-7-8-11(12(17)9-10)16(18)15-13(20-2)5-4-6-14(15)21-3/h4-9,16H,18H2,1-3H3
InChIKeyZCAUSKRDPAOKTC-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-dimethoxyphenyl)-(2,4,5-trifluorophenyl)methanamine
CID 103301943
(2-fluoro-4-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanamine
CID 102882564
(2-fluoro-4-methoxyphenyl)-phenylmethanamine
CID 43561220
(5-chloro-2-fluorophenyl)-(2,6-dimethoxyphenyl)methanamine
CID 114885870
(2,6-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 43122398
(2-fluoro-4-methoxyphenyl)-pyrimidin-2-ylmethanamine
CID 103395513
(4-fluoro-3,5-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 102882911
(4-chloro-2-fluorophenyl)-(2,4-dimethoxyphenyl)methanamine
CID 43197289
(3-chloro-2-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 107096474
(3-bromo-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 61032943
(2,5-difluoro-4-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 102882947
(1R)-2,2-difluoro-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 130665860

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanamine?
The IUPAC name of (2,6-dimethoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanamine (CID 43561193) is (2,6-dimethoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanamine.
What is the SMILES notation for (2,6-dimethoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanamine?
The canonical SMILES for (2,6-dimethoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanamine is COc1ccc(C(N)c2c(OC)cccc2OC)c(F)c1.
What is the InChIKey of (2,6-dimethoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanamine?
The InChIKey is ZCAUSKRDPAOKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3/c1-19-10-7-8-11(12(17)9-10)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)-(2-fluoro-4-methoxyphenyl)methanamine?
(2,6-dimethoxyphenyl)-(2-fluoro-4-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)-(2-fluoro-4-methoxyphenyl)methanamine is sourced from PubChem (CID 43561193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).