N-fluoro-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine

C9H11F2N — CID 142839672

IUPACN-fluoro-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
SMILESCc1ccc(F)cc1CN(C)F
InChIInChI=1S/C9H11F2N/c1-7-3-4-9(10)5-8(7)6-12(2)11/h3-5H,6H2,1-2H3
InChIKeyUEXVQSLYPFIZPZ-UHFFFAOYSA-N
MW171.19 g/mol
LogP2.45
Rot. Bonds2

About N-fluoro-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine

N-fluoro-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine (PubChem CID 142839672) has the molecular formula C9H11F2N and a molecular weight of 171.19 g/mol. Its IUPAC name is N-fluoro-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound NameN-fluoro-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
PubChem CID142839672
Molecular FormulaC9H11F2N
Molecular Weight171.19 g/mol
Exact Mass171.09
IUPAC NameN-fluoro-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
SMILESCc1ccc(F)cc1CN(C)F
InChIInChI=1S/C9H11F2N/c1-7-3-4-9(10)5-8(7)6-12(2)11/h3-5H,6H2,1-2H3
InChIKeyUEXVQSLYPFIZPZ-UHFFFAOYSA-N
XLogP2.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.19
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

Analyze N-fluoro-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine 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-[(5-fluoro-2-methylphenyl)methyl]-N-methylazetidin-3-amine
CID 105372573
2-[(5-fluoro-2-methylphenyl)methyl-methylamino]propanoic acid
CID 105372419
1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 63049128
N-benzyl-2-bromo-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 105375239
2-[(5-fluoro-2-methylphenyl)methyl-propylamino]ethanol
CID 115970191
2-[(5-fluoro-2-methylphenyl)methyl-propan-2-ylamino]ethanol
CID 115970192
3-(5-fluoro-2-methylphenyl)propanal
CID 64522520
ethane;2-(5-fluoro-2-methylphenyl)acetonitrile
CID 177006757
N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 63049129
2-[(5-fluoro-2-methylphenyl)methyl]-4,5-dihydro-1H-imidazole
CID 58951723
N-(2-bromoethyl)-2,2-difluoro-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 107487525
methyl 4-[(5-fluoro-2-methylphenyl)methyl-methylamino]butanoate
CID 105374749

Frequently Asked Questions

What is the IUPAC name of N-fluoro-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine?
The IUPAC name of N-fluoro-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine (CID 142839672) is N-fluoro-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for N-fluoro-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine?
The canonical SMILES for N-fluoro-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine is Cc1ccc(F)cc1CN(C)F.
What is the InChIKey of N-fluoro-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine?
The InChIKey is UEXVQSLYPFIZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N/c1-7-3-4-9(10)5-8(7)6-12(2)11/h3-5H,6H2,1-2H3.
What are the key properties of N-fluoro-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine?
N-fluoro-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine has a molecular weight of 171.19 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 142839672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).