(3,4-dimethylphenyl)-(2-fluoro-3-methoxyphenyl)methanamine

C16H18FNO — CID 105024853

IUPAC(3,4-dimethylphenyl)-(2-fluoro-3-methoxyphenyl)methanamine
SMILESCOc1cccc(C(N)c2ccc(C)c(C)c2)c1F
InChIInChI=1S/C16H18FNO/c1-10-7-8-12(9-11(10)2)16(18)13-5-4-6-14(19-3)15(13)17/h4-9,16H,18H2,1-3H3
InChIKeyVZPUZVZUVBWKMM-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.50
Rot. Bonds3

About (3,4-dimethylphenyl)-(2-fluoro-3-methoxyphenyl)methanamine

(3,4-dimethylphenyl)-(2-fluoro-3-methoxyphenyl)methanamine (PubChem CID 105024853) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-(2-fluoro-3-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-(2-fluoro-3-methoxyphenyl)methanamine
PubChem CID105024853
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name(3,4-dimethylphenyl)-(2-fluoro-3-methoxyphenyl)methanamine
SMILESCOc1cccc(C(N)c2ccc(C)c(C)c2)c1F
InChIInChI=1S/C16H18FNO/c1-10-7-8-12(9-11(10)2)16(18)13-5-4-6-14(19-3)15(13)17/h4-9,16H,18H2,1-3H3
InChIKeyVZPUZVZUVBWKMM-UHFFFAOYSA-N
XLogP3.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,3-difluorophenyl)-(4-methoxy-3-methylphenyl)methanamine
CID 62650016
(2-fluoro-3-methoxyphenyl)-naphthalen-2-ylmethanamine
CID 82793131
(4-chloro-3-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 107994800
(3-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 82808205
(2-fluoro-3-methoxyphenyl)-(2-methoxyphenyl)methanamine
CID 82808424
(5-chloro-2-methylphenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024991
2,3-dihydro-1,4-benzodioxin-6-yl-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024896
[3-(difluoromethoxy)phenyl]-(2-fluoro-3-methoxyphenyl)methanamine
CID 105025170
(2,3-dimethylphenyl)-(3,4-dimethylphenyl)methanamine
CID 43149160
(2-fluoro-3-methoxyphenyl)-pyridin-4-ylmethanamine
CID 82807035
(R)-(2-fluoro-3-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171248230
(2-fluoro-3-methoxyphenyl)-(3-methoxy-4-methylphenyl)methanol
CID 115828621

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-(2-fluoro-3-methoxyphenyl)methanamine?
The IUPAC name of (3,4-dimethylphenyl)-(2-fluoro-3-methoxyphenyl)methanamine (CID 105024853) is (3,4-dimethylphenyl)-(2-fluoro-3-methoxyphenyl)methanamine.
What is the SMILES notation for (3,4-dimethylphenyl)-(2-fluoro-3-methoxyphenyl)methanamine?
The canonical SMILES for (3,4-dimethylphenyl)-(2-fluoro-3-methoxyphenyl)methanamine is COc1cccc(C(N)c2ccc(C)c(C)c2)c1F.
What is the InChIKey of (3,4-dimethylphenyl)-(2-fluoro-3-methoxyphenyl)methanamine?
The InChIKey is VZPUZVZUVBWKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-10-7-8-12(9-11(10)2)16(18)13-5-4-6-14(19-3)15(13)17/h4-9,16H,18H2,1-3H3.
What are the key properties of (3,4-dimethylphenyl)-(2-fluoro-3-methoxyphenyl)methanamine?
(3,4-dimethylphenyl)-(2-fluoro-3-methoxyphenyl)methanamine has a molecular weight of 259.32 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-(2-fluoro-3-methoxyphenyl)methanamine is sourced from PubChem (CID 105024853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).