[2-fluoro-5-[[3-(methoxymethyl)phenoxy]methyl]phenyl]methanamine

C16H18FNO2 — CID 107879028

IUPAC[2-fluoro-5-[[3-(methoxymethyl)phenoxy]methyl]phenyl]methanamine
SMILESCOCc1cccc(OCc2ccc(F)c(CN)c2)c1
InChIInChI=1S/C16H18FNO2/c1-19-10-12-3-2-4-15(8-12)20-11-13-5-6-16(17)14(7-13)9-18/h2-8H,9-11,18H2,1H3
InChIKeyLWHSZRQKBKWWAO-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.01
Rot. Bonds6

About [2-fluoro-5-[[3-(methoxymethyl)phenoxy]methyl]phenyl]methanamine

[2-fluoro-5-[[3-(methoxymethyl)phenoxy]methyl]phenyl]methanamine (PubChem CID 107879028) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is [2-fluoro-5-[[3-(methoxymethyl)phenoxy]methyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-fluoro-5-[[3-(methoxymethyl)phenoxy]methyl]phenyl]methanamine
PubChem CID107879028
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name[2-fluoro-5-[[3-(methoxymethyl)phenoxy]methyl]phenyl]methanamine
SMILESCOCc1cccc(OCc2ccc(F)c(CN)c2)c1
InChIInChI=1S/C16H18FNO2/c1-19-10-12-3-2-4-15(8-12)20-11-13-5-6-16(17)14(7-13)9-18/h2-8H,9-11,18H2,1H3
InChIKeyLWHSZRQKBKWWAO-UHFFFAOYSA-N
XLogP3.01
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-fluoro-5-[[3-(methoxymethyl)phenoxy]methyl]phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(methoxymethyl)-3-phenylmethoxybenzene
CID 59224255
[4-[2-[3-(methoxymethyl)phenoxy]ethoxy]phenyl]methanamine
CID 63986556
[2-[[3-(methoxymethyl)phenoxy]methyl]furan-3-yl]methanamine
CID 63984257
[5-[(2,3-difluorophenoxy)methyl]-2-fluorophenyl]methanamine
CID 107879019
[3-[(3-tert-butylphenoxy)methyl]-4-fluorophenyl]methanamine
CID 43169661
[3-[(3-bromophenoxy)methyl]-4-fluorophenyl]methanamine
CID 43531140
1-(methoxymethoxy)-3-(methoxymethyl)benzene
CID 138736318
[3-[(3,4-difluorophenoxy)methyl]phenyl]methanamine
CID 43554727
[2-[3-(methoxymethyl)phenoxy]phenyl]methanamine
CID 63986542
[5-[(2,3-dichlorophenoxy)methyl]-2-fluorophenyl]methanamine
CID 107878986
[2-methoxy-5-[(3-propan-2-ylphenoxy)methyl]phenyl]methanamine
CID 65338351
[4-[(3,4-difluorophenyl)methoxy]-2-fluorophenyl]methanamine
CID 82919254

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-5-[[3-(methoxymethyl)phenoxy]methyl]phenyl]methanamine?
The IUPAC name of [2-fluoro-5-[[3-(methoxymethyl)phenoxy]methyl]phenyl]methanamine (CID 107879028) is [2-fluoro-5-[[3-(methoxymethyl)phenoxy]methyl]phenyl]methanamine.
What is the SMILES notation for [2-fluoro-5-[[3-(methoxymethyl)phenoxy]methyl]phenyl]methanamine?
The canonical SMILES for [2-fluoro-5-[[3-(methoxymethyl)phenoxy]methyl]phenyl]methanamine is COCc1cccc(OCc2ccc(F)c(CN)c2)c1.
What is the InChIKey of [2-fluoro-5-[[3-(methoxymethyl)phenoxy]methyl]phenyl]methanamine?
The InChIKey is LWHSZRQKBKWWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-19-10-12-3-2-4-15(8-12)20-11-13-5-6-16(17)14(7-13)9-18/h2-8H,9-11,18H2,1H3.
What are the key properties of [2-fluoro-5-[[3-(methoxymethyl)phenoxy]methyl]phenyl]methanamine?
[2-fluoro-5-[[3-(methoxymethyl)phenoxy]methyl]phenyl]methanamine has a molecular weight of 275.32 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-5-[[3-(methoxymethyl)phenoxy]methyl]phenyl]methanamine is sourced from PubChem (CID 107879028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).