1-(3-fluorophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]methanamine

C16H18FNO — CID 43423933

IUPAC1-(3-fluorophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]methanamine
SMILESCOc1ccc(C)cc1CNCc1cccc(F)c1
InChIInChI=1S/C16H18FNO/c1-12-6-7-16(19-2)14(8-12)11-18-10-13-4-3-5-15(17)9-13/h3-9,18H,10-11H2,1-2H3
InChIKeyULRGRWWYIBXJAO-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.43
Rot. Bonds5

About 1-(3-fluorophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]methanamine

1-(3-fluorophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]methanamine (PubChem CID 43423933) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]methanamine
PubChem CID43423933
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name1-(3-fluorophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]methanamine
SMILESCOc1ccc(C)cc1CNCc1cccc(F)c1
InChIInChI=1S/C16H18FNO/c1-12-6-7-16(19-2)14(8-12)11-18-10-13-4-3-5-15(17)9-13/h3-9,18H,10-11H2,1-2H3
InChIKeyULRGRWWYIBXJAO-UHFFFAOYSA-N
XLogP3.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(chloromethyl)phenyl]-N-[(2-methoxy-5-methylphenyl)methyl]methanamine
CID 65024708
N-[(5-fluoro-2-methoxyphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 119160611
1-(3-fluorophenyl)-N-[(2,4,5-trimethylphenyl)methyl]methanamine
CID 43432996
N-[(2-methoxy-5-methylphenyl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine
CID 46823346
1-(4-chlorophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]methanamine
CID 43406541
1-(3-fluorophenyl)-3-(2-methoxy-5-methylphenyl)-2-methylpropan-2-ol
CID 114833348
1-(3-fluorophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 43406776
2-[2-(bromomethyl)-3-(3-fluorophenyl)propyl]-1-methoxy-4-methylbenzene
CID 66042915
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(3-fluorophenyl)ethanamine
CID 43410931
N-[(2,5-difluorophenyl)methyl]-1-(3-methylphenyl)methanamine
CID 43312720
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(3-bromophenyl)methanamine
CID 61400743
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-(3-methylphenyl)acetamide
CID 110780202

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]methanamine?
The IUPAC name of 1-(3-fluorophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]methanamine (CID 43423933) is 1-(3-fluorophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]methanamine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]methanamine?
The canonical SMILES for 1-(3-fluorophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]methanamine is COc1ccc(C)cc1CNCc1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]methanamine?
The InChIKey is ULRGRWWYIBXJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-12-6-7-16(19-2)14(8-12)11-18-10-13-4-3-5-15(17)9-13/h3-9,18H,10-11H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]methanamine?
1-(3-fluorophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]methanamine has a molecular weight of 259.32 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]methanamine is sourced from PubChem (CID 43423933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).