N-[[4-(chloromethyl)phenyl]methyl]-2-fluoroethanamine

C10H13ClFN — CID 107233064

IUPACN-[[4-(chloromethyl)phenyl]methyl]-2-fluoroethanamine
SMILESFCCNCc1ccc(CCl)cc1
InChIInChI=1S/C10H13ClFN/c11-7-9-1-3-10(4-2-9)8-13-6-5-12/h1-4,13H,5-8H2
InChIKeyAAARZHFMWNZHIW-UHFFFAOYSA-N
MW201.67 g/mol
LogP2.48
Rot. Bonds5

About N-[[4-(chloromethyl)phenyl]methyl]-2-fluoroethanamine

N-[[4-(chloromethyl)phenyl]methyl]-2-fluoroethanamine (PubChem CID 107233064) has the molecular formula C10H13ClFN and a molecular weight of 201.67 g/mol. Its IUPAC name is N-[[4-(chloromethyl)phenyl]methyl]-2-fluoroethanamine.

Molecular Properties

Compound NameN-[[4-(chloromethyl)phenyl]methyl]-2-fluoroethanamine
PubChem CID107233064
Molecular FormulaC10H13ClFN
Molecular Weight201.67 g/mol
Exact Mass201.07
IUPAC NameN-[[4-(chloromethyl)phenyl]methyl]-2-fluoroethanamine
SMILESFCCNCc1ccc(CCl)cc1
InChIInChI=1S/C10H13ClFN/c11-7-9-1-3-10(4-2-9)8-13-6-5-12/h1-4,13H,5-8H2
InChIKeyAAARZHFMWNZHIW-UHFFFAOYSA-N
XLogP2.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.67
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(chloromethyl)phenyl]methyl]propan-1-amine
CID 107232944
2-fluoro-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 80695833
N-[[4-(chloromethyl)phenyl]methyl]ethanamine
CID 107232930
N-[[4-(chloromethyl)phenyl]methyl]-2-(4-methoxyphenyl)ethanamine
CID 107232979
N-[(3-chlorophenyl)methyl]-2-fluoroethanamine
CID 80694369
2-fluoro-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 80695988
N'-[[4-[(3-aminopropylamino)methyl]phenyl]methyl]propane-1,3-diamine
CID 10106170
N-[[4-(chloromethyl)phenyl]methyl]-2-(2-methoxyphenoxy)ethanamine
CID 107232956
2-fluoro-N-[(1-methylpyrrol-3-yl)methyl]ethanamine
CID 130478299
N,N'-bis[(4-chlorophenyl)methyl]butane-1,4-diamine
CID 131985015
1-[4-(chloromethyl)phenyl]-N-[(3-methylphenyl)methyl]methanamine
CID 107233003
N-[(2-bromo-4-fluorophenyl)methyl]-1-[4-(chloromethyl)phenyl]methanamine
CID 107232978

Frequently Asked Questions

What is the IUPAC name of N-[[4-(chloromethyl)phenyl]methyl]-2-fluoroethanamine?
The IUPAC name of N-[[4-(chloromethyl)phenyl]methyl]-2-fluoroethanamine (CID 107233064) is N-[[4-(chloromethyl)phenyl]methyl]-2-fluoroethanamine.
What is the SMILES notation for N-[[4-(chloromethyl)phenyl]methyl]-2-fluoroethanamine?
The canonical SMILES for N-[[4-(chloromethyl)phenyl]methyl]-2-fluoroethanamine is FCCNCc1ccc(CCl)cc1.
What is the InChIKey of N-[[4-(chloromethyl)phenyl]methyl]-2-fluoroethanamine?
The InChIKey is AAARZHFMWNZHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFN/c11-7-9-1-3-10(4-2-9)8-13-6-5-12/h1-4,13H,5-8H2.
What are the key properties of N-[[4-(chloromethyl)phenyl]methyl]-2-fluoroethanamine?
N-[[4-(chloromethyl)phenyl]methyl]-2-fluoroethanamine has a molecular weight of 201.67 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(chloromethyl)phenyl]methyl]-2-fluoroethanamine is sourced from PubChem (CID 107233064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).