N-benzyl-1-(2-fluoro-6-methoxyphenyl)ethanamine

C16H18FNO — CID 115655768

IUPACN-benzyl-1-(2-fluoro-6-methoxyphenyl)ethanamine
SMILESCOc1cccc(F)c1C(C)NCc1ccccc1
InChIInChI=1S/C16H18FNO/c1-12(18-11-13-7-4-3-5-8-13)16-14(17)9-6-10-15(16)19-2/h3-10,12,18H,11H2,1-2H3
InChIKeyMVJAGAANOIGKAW-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.69
Rot. Bonds5

About N-benzyl-1-(2-fluoro-6-methoxyphenyl)ethanamine

N-benzyl-1-(2-fluoro-6-methoxyphenyl)ethanamine (PubChem CID 115655768) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is N-benzyl-1-(2-fluoro-6-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-benzyl-1-(2-fluoro-6-methoxyphenyl)ethanamine
PubChem CID115655768
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC NameN-benzyl-1-(2-fluoro-6-methoxyphenyl)ethanamine
SMILESCOc1cccc(F)c1C(C)NCc1ccccc1
InChIInChI=1S/C16H18FNO/c1-12(18-11-13-7-4-3-5-8-13)16-14(17)9-6-10-15(16)19-2/h3-10,12,18H,11H2,1-2H3
InChIKeyMVJAGAANOIGKAW-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-benzyl-1-(2-fluoro-6-methoxyphenyl)ethanamine 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-(2-fluoro-6-methoxyphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 112695110
N-[(3-bromophenyl)methyl]-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 115655771
N-[(3,4-difluorophenyl)methyl]-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 115655779
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpropan-1-amine
CID 115704747
methyl 2-[[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]amino]acetate
CID 97334412
2-[1-(2-fluoro-6-methoxyphenyl)ethylamino]acetamide
CID 115901891
1-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 112700389
N-ethyl-1-[2-fluoro-6-(2-methoxyphenoxy)phenyl]ethanamine
CID 43285597
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 113350949
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propan-2-amine
CID 115705454
1-(2-fluoro-6-methoxyphenyl)-N-(pyridazin-3-ylmethyl)ethanamine
CID 106895281
2-[1-(2-fluoro-6-methoxyphenyl)ethylamino]propane-1,3-diol
CID 112700459

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(2-fluoro-6-methoxyphenyl)ethanamine?
The IUPAC name of N-benzyl-1-(2-fluoro-6-methoxyphenyl)ethanamine (CID 115655768) is N-benzyl-1-(2-fluoro-6-methoxyphenyl)ethanamine.
What is the SMILES notation for N-benzyl-1-(2-fluoro-6-methoxyphenyl)ethanamine?
The canonical SMILES for N-benzyl-1-(2-fluoro-6-methoxyphenyl)ethanamine is COc1cccc(F)c1C(C)NCc1ccccc1.
What is the InChIKey of N-benzyl-1-(2-fluoro-6-methoxyphenyl)ethanamine?
The InChIKey is MVJAGAANOIGKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-12(18-11-13-7-4-3-5-8-13)16-14(17)9-6-10-15(16)19-2/h3-10,12,18H,11H2,1-2H3.
What are the key properties of N-benzyl-1-(2-fluoro-6-methoxyphenyl)ethanamine?
N-benzyl-1-(2-fluoro-6-methoxyphenyl)ethanamine has a molecular weight of 259.32 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(2-fluoro-6-methoxyphenyl)ethanamine is sourced from PubChem (CID 115655768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).