N-[(2-fluoro-5-methylphenyl)methyl]ethanamine

C10H14FN — CID 61033867

IUPACN-[(2-fluoro-5-methylphenyl)methyl]ethanamine
SMILESCCNCc1cc(C)ccc1F
InChIInChI=1S/C10H14FN/c1-3-12-7-9-6-8(2)4-5-10(9)11/h4-6,12H,3,7H2,1-2H3
InChIKeyWVPOBBXDVKOCMB-UHFFFAOYSA-N
MW167.23 g/mol
LogP2.24
Rot. Bonds3

About N-[(2-fluoro-5-methylphenyl)methyl]ethanamine

N-[(2-fluoro-5-methylphenyl)methyl]ethanamine (PubChem CID 61033867) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is N-[(2-fluoro-5-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-fluoro-5-methylphenyl)methyl]ethanamine
PubChem CID61033867
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC NameN-[(2-fluoro-5-methylphenyl)methyl]ethanamine
SMILESCCNCc1cc(C)ccc1F
InChIInChI=1S/C10H14FN/c1-3-12-7-9-6-8(2)4-5-10(9)11/h4-6,12H,3,7H2,1-2H3
InChIKeyWVPOBBXDVKOCMB-UHFFFAOYSA-N
XLogP2.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(2-fluoro-5-methylphenyl)methyl]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

N-[[2-fluoro-5-(2-fluoro-5-methylphenyl)phenyl]methyl]ethanamine
CID 54911835
N-[(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 61033992
N-[(2-fluoro-4-methylphenyl)methyl]ethanamine
CID 61033995
N-ethyl-2-[(2-fluoro-5-methylphenyl)methylamino]acetamide
CID 115632183
N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43163700
N-[[5-(3,5-dimethylphenyl)-2-fluorophenyl]methyl]ethanamine
CID 63424375
N-[(2-fluoro-5-methylphenyl)methyl]pentan-1-amine
CID 115632172
3-[(2-fluoro-5-methylphenyl)methylamino]propan-1-ol
CID 115632162
N-[(2-fluoro-5-methylphenyl)methyl]-2,2-dimethylpropan-1-amine
CID 103674230
N-[(2-fluoro-5-methylphenyl)methyl]but-2-yn-1-amine
CID 115866443
N-ethyl-2-[(2-fluoro-5-methylphenyl)methylamino]-N-methylacetamide
CID 104923539
2-[[(5-bromo-2-fluorophenyl)methylamino]methyl]-4-methylphenol
CID 63324955

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-5-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(2-fluoro-5-methylphenyl)methyl]ethanamine (CID 61033867) is N-[(2-fluoro-5-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-fluoro-5-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-fluoro-5-methylphenyl)methyl]ethanamine is CCNCc1cc(C)ccc1F.
What is the InChIKey of N-[(2-fluoro-5-methylphenyl)methyl]ethanamine?
The InChIKey is WVPOBBXDVKOCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN/c1-3-12-7-9-6-8(2)4-5-10(9)11/h4-6,12H,3,7H2,1-2H3.
What are the key properties of N-[(2-fluoro-5-methylphenyl)methyl]ethanamine?
N-[(2-fluoro-5-methylphenyl)methyl]ethanamine has a molecular weight of 167.23 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-5-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 61033867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).