2-[4-[(2-fluoro-3-methylphenoxy)methyl]phenyl]-N-methylpropan-1-amine

C18H22FNO — CID 107661159

IUPAC2-[4-[(2-fluoro-3-methylphenoxy)methyl]phenyl]-N-methylpropan-1-amine
SMILESCNCC(C)c1ccc(COc2cccc(C)c2F)cc1
InChIInChI=1S/C18H22FNO/c1-13-5-4-6-17(18(13)19)21-12-15-7-9-16(10-8-15)14(2)11-20-3/h4-10,14,20H,11-12H2,1-3H3
InChIKeyFQEQPWACYUSHIX-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.04
Rot. Bonds6

About 2-[4-[(2-fluoro-3-methylphenoxy)methyl]phenyl]-N-methylpropan-1-amine

2-[4-[(2-fluoro-3-methylphenoxy)methyl]phenyl]-N-methylpropan-1-amine (PubChem CID 107661159) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 2-[4-[(2-fluoro-3-methylphenoxy)methyl]phenyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-[4-[(2-fluoro-3-methylphenoxy)methyl]phenyl]-N-methylpropan-1-amine
PubChem CID107661159
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name2-[4-[(2-fluoro-3-methylphenoxy)methyl]phenyl]-N-methylpropan-1-amine
SMILESCNCC(C)c1ccc(COc2cccc(C)c2F)cc1
InChIInChI=1S/C18H22FNO/c1-13-5-4-6-17(18(13)19)21-12-15-7-9-16(10-8-15)14(2)11-20-3/h4-10,14,20H,11-12H2,1-3H3
InChIKeyFQEQPWACYUSHIX-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[4-[(2-fluoro-3-methylphenoxy)methyl]phenyl]-N-methylpropan-1-amine 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

2-[4-[(4-fluorophenoxy)methyl]phenyl]-N-methylpropan-1-amine
CID 105350603
2-[4-[(4-bromo-2-methylphenoxy)methyl]phenyl]-N-methylpropan-1-amine
CID 105350906
N-ethyl-2-[4-[(2-methylphenoxy)methyl]phenyl]propan-1-amine
CID 105350601
N-methyl-2-[4-(phenoxymethyl)phenyl]propan-1-amine
CID 105350614
4-[(2-fluoro-3-methylphenoxy)methyl]pyridine
CID 107661921
2-[4-[(2-bromo-4-chlorophenoxy)methyl]phenyl]-N-methylpropan-1-amine
CID 105350753
3-[4-[(2-fluoro-3-methylphenoxy)methyl]phenyl]prop-2-yn-1-ol
CID 107660278
3-[(2-fluoro-3-methylphenoxy)methyl]furan
CID 107661892
N-methyl-2-[4-(pentan-2-yloxymethyl)phenyl]propan-1-amine
CID 102987103
2-bromo-5-[(2-fluoro-3-methylphenoxy)methyl]aniline
CID 107656270
1-ethoxy-2-fluoro-3-methylbenzene
CID 59732440
1-(2,2-difluoroethoxy)-2-fluoro-3-methylbenzene
CID 104853711

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-fluoro-3-methylphenoxy)methyl]phenyl]-N-methylpropan-1-amine?
The IUPAC name of 2-[4-[(2-fluoro-3-methylphenoxy)methyl]phenyl]-N-methylpropan-1-amine (CID 107661159) is 2-[4-[(2-fluoro-3-methylphenoxy)methyl]phenyl]-N-methylpropan-1-amine.
What is the SMILES notation for 2-[4-[(2-fluoro-3-methylphenoxy)methyl]phenyl]-N-methylpropan-1-amine?
The canonical SMILES for 2-[4-[(2-fluoro-3-methylphenoxy)methyl]phenyl]-N-methylpropan-1-amine is CNCC(C)c1ccc(COc2cccc(C)c2F)cc1.
What is the InChIKey of 2-[4-[(2-fluoro-3-methylphenoxy)methyl]phenyl]-N-methylpropan-1-amine?
The InChIKey is FQEQPWACYUSHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-13-5-4-6-17(18(13)19)21-12-15-7-9-16(10-8-15)14(2)11-20-3/h4-10,14,20H,11-12H2,1-3H3.
What are the key properties of 2-[4-[(2-fluoro-3-methylphenoxy)methyl]phenyl]-N-methylpropan-1-amine?
2-[4-[(2-fluoro-3-methylphenoxy)methyl]phenyl]-N-methylpropan-1-amine has a molecular weight of 287.38 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-fluoro-3-methylphenoxy)methyl]phenyl]-N-methylpropan-1-amine is sourced from PubChem (CID 107661159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).