(3,5-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanamine

C16H18FNO3 — CID 43122354

IUPAC(3,5-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanamine
SMILESCOc1cc(OC)cc(C(N)c2cc(F)ccc2OC)c1
InChIInChI=1S/C16H18FNO3/c1-19-12-6-10(7-13(9-12)20-2)16(18)14-8-11(17)4-5-15(14)21-3/h4-9,16H,18H2,1-3H3
InChIKeyVJMBTPYZMWAMBL-UHFFFAOYSA-N
MW291.32 g/mol
LogP2.90
Rot. Bonds5

About (3,5-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanamine

(3,5-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanamine (PubChem CID 43122354) has the molecular formula C16H18FNO3 and a molecular weight of 291.32 g/mol. Its IUPAC name is (3,5-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(3,5-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanamine
PubChem CID43122354
Molecular FormulaC16H18FNO3
Molecular Weight291.32 g/mol
Exact Mass291.13
IUPAC Name(3,5-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanamine
SMILESCOc1cc(OC)cc(C(N)c2cc(F)ccc2OC)c1
InChIInChI=1S/C16H18FNO3/c1-19-12-6-10(7-13(9-12)20-2)16(18)14-8-11(17)4-5-15(14)21-3/h4-9,16H,18H2,1-3H3
InChIKeyVJMBTPYZMWAMBL-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

(5-fluoro-2-methoxyphenyl)-(4-methoxyphenyl)methanamine
CID 43122364
4-[amino-(5-fluoro-2-methoxyphenyl)methyl]aniline
CID 116936753
(5-bromo-2-methoxyphenyl)-(3,5-dimethoxyphenyl)methanamine
CID 43149051
(5-fluoro-2-methoxyphenyl)-(5-fluoro-3-pyridinyl)methanamine
CID 105176629
(2,6-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 43122398
amino-(5-fluoro-2-methoxyphenyl)methanethiol
CID 116939436
(2,6-difluorophenyl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 43122336
(5-bromo-3-pyridinyl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 43125149
(2,5-dimethoxyphenyl)-(4-methoxyphenyl)methanamine
CID 43197203
(5-fluoro-2-methoxyphenyl)-thiophen-2-ylmethanamine
CID 43464539
(1R)-2,2,2-trifluoro-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 28966440
4-fluoro-1-methoxy-2-propan-2-ylbenzene
CID 53399241

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanamine?
The IUPAC name of (3,5-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanamine (CID 43122354) is (3,5-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanamine.
What is the SMILES notation for (3,5-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanamine?
The canonical SMILES for (3,5-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanamine is COc1cc(OC)cc(C(N)c2cc(F)ccc2OC)c1.
What is the InChIKey of (3,5-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanamine?
The InChIKey is VJMBTPYZMWAMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3/c1-19-12-6-10(7-13(9-12)20-2)16(18)14-8-11(17)4-5-15(14)21-3/h4-9,16H,18H2,1-3H3.
What are the key properties of (3,5-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanamine?
(3,5-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 (3,5-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanamine is sourced from PubChem (CID 43122354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).