1-[4-(2-fluoro-3-methylphenoxy)-3-methylphenyl]-N-methylmethanamine

C16H18FNO — CID 107659646

IUPAC1-[4-(2-fluoro-3-methylphenoxy)-3-methylphenyl]-N-methylmethanamine
SMILESCNCc1ccc(Oc2cccc(C)c2F)c(C)c1
InChIInChI=1S/C16H18FNO/c1-11-5-4-6-15(16(11)17)19-14-8-7-13(10-18-3)9-12(14)2/h4-9,18H,10H2,1-3H3
InChIKeyKPDKNYIPVJYNJS-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.95
Rot. Bonds4

About 1-[4-(2-fluoro-3-methylphenoxy)-3-methylphenyl]-N-methylmethanamine

1-[4-(2-fluoro-3-methylphenoxy)-3-methylphenyl]-N-methylmethanamine (PubChem CID 107659646) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 1-[4-(2-fluoro-3-methylphenoxy)-3-methylphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(2-fluoro-3-methylphenoxy)-3-methylphenyl]-N-methylmethanamine
PubChem CID107659646
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name1-[4-(2-fluoro-3-methylphenoxy)-3-methylphenyl]-N-methylmethanamine
SMILESCNCc1ccc(Oc2cccc(C)c2F)c(C)c1
InChIInChI=1S/C16H18FNO/c1-11-5-4-6-15(16(11)17)19-14-8-7-13(10-18-3)9-12(14)2/h4-9,18H,10H2,1-3H3
InChIKeyKPDKNYIPVJYNJS-UHFFFAOYSA-N
XLogP3.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2,3-difluorophenoxy)-3-methylphenyl]-N-methylmethanamine
CID 63038179
1-[3-(4-fluoro-2-methylphenoxy)-4-methylphenyl]-N-methylmethanamine
CID 105407476
N-methyl-1-[3-methyl-4-(3-methyl-2-nitrophenoxy)phenyl]methanamine
CID 62125465
1-[4-(4-chloro-2-methylphenoxy)-3-fluorophenyl]-N-methylmethanamine
CID 43283411
1-[4-(3,4-difluorophenoxy)-3-methylphenyl]-N-methylmethanamine
CID 55039981
N-[[3-fluoro-4-(2-fluoro-3-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 107659574
N-[[3-chloro-4-(2-fluoro-3-methylphenoxy)phenyl]methyl]propan-2-amine
CID 107659648
N-[[3-methyl-4-(2-methylphenoxy)phenyl]methyl]ethanamine
CID 63552188
N-methyl-1-[3-methyl-4-(3-propan-2-ylphenoxy)phenyl]methanamine
CID 63550870
N-[[3-chloro-4-(2-fluoro-3-methylphenoxy)phenyl]methyl]propan-1-amine
CID 107659563
1-[4-[(2,6-dimethylphenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 107686671
1-[3-chloro-4-(4-chloro-2-methylphenoxy)phenyl]-N-methylmethanamine
CID 81154995

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluoro-3-methylphenoxy)-3-methylphenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(2-fluoro-3-methylphenoxy)-3-methylphenyl]-N-methylmethanamine (CID 107659646) is 1-[4-(2-fluoro-3-methylphenoxy)-3-methylphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(2-fluoro-3-methylphenoxy)-3-methylphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(2-fluoro-3-methylphenoxy)-3-methylphenyl]-N-methylmethanamine is CNCc1ccc(Oc2cccc(C)c2F)c(C)c1.
What is the InChIKey of 1-[4-(2-fluoro-3-methylphenoxy)-3-methylphenyl]-N-methylmethanamine?
The InChIKey is KPDKNYIPVJYNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-11-5-4-6-15(16(11)17)19-14-8-7-13(10-18-3)9-12(14)2/h4-9,18H,10H2,1-3H3.
What are the key properties of 1-[4-(2-fluoro-3-methylphenoxy)-3-methylphenyl]-N-methylmethanamine?
1-[4-(2-fluoro-3-methylphenoxy)-3-methylphenyl]-N-methylmethanamine has a molecular weight of 259.32 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluoro-3-methylphenoxy)-3-methylphenyl]-N-methylmethanamine is sourced from PubChem (CID 107659646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).