N-[(5-chloro-2-fluorophenyl)methyl]-1,1,1-trideuteriomethanamine

C8H9ClFN — CID 177195909

IUPACN-[(5-chloro-2-fluorophenyl)methyl]-1,1,1-trideuteriomethanamine
SMILES[2H]C([2H])([2H])NCc1cc(Cl)ccc1F
InChIInChI=1S/C8H9ClFN/c1-11-5-6-4-7(9)2-3-8(6)10/h2-4,11H,5H2,1H3/i1D3
InChIKeyPZXLNIHUWNUZKU-FIBGUPNXSA-N
MW176.64 g/mol
LogP2.20
Rot. Bonds3

About N-[(5-chloro-2-fluorophenyl)methyl]-1,1,1-trideuteriomethanamine

N-[(5-chloro-2-fluorophenyl)methyl]-1,1,1-trideuteriomethanamine (PubChem CID 177195909) has the molecular formula C8H9ClFN and a molecular weight of 176.64 g/mol. Its IUPAC name is N-[(5-chloro-2-fluorophenyl)methyl]-1,1,1-trideuteriomethanamine.

Molecular Properties

Compound NameN-[(5-chloro-2-fluorophenyl)methyl]-1,1,1-trideuteriomethanamine
PubChem CID177195909
Molecular FormulaC8H9ClFN
Molecular Weight176.64 g/mol
Exact Mass176.06
IUPAC NameN-[(5-chloro-2-fluorophenyl)methyl]-1,1,1-trideuteriomethanamine
SMILES[2H]C([2H])([2H])NCc1cc(Cl)ccc1F
InChIInChI=1S/C8H9ClFN/c1-11-5-6-4-7(9)2-3-8(6)10/h2-4,11H,5H2,1H3/i1D3
InChIKeyPZXLNIHUWNUZKU-FIBGUPNXSA-N
XLogP2.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.64
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-chloro-2-fluorophenyl)-N-methoxymethanamine
CID 114842560
N-[(5-chloro-2-fluorophenyl)methyl]-2-methylpropan-2-amine
CID 60984555
1-(5-chloro-2-fluorophenyl)-N-(chloromethyl)methanamine
CID 115263054
1-[5-(4-chlorophenyl)-2-fluorophenyl]-N-methylmethanamine
CID 54911684
2-N-[(5-chloro-2-fluorophenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115132726
1-[(5-chloro-2-fluorophenyl)methylamino]propan-2-ol
CID 82471992
N-[(5-chloro-2-fluorophenyl)methyl]-2-methylbutan-2-amine
CID 115762196
N-[(5-chloro-2-fluorophenyl)methyl]-2,6-difluoro-3-methylaniline
CID 114842579
1-[5-chloro-2-(2,4,5-trifluorophenyl)phenyl]-N-methylmethanamine
CID 115503182
N-[(5-chloro-2-fluorophenyl)methyl]-2-methylpentan-3-amine
CID 114842197
N'-[(5-chloro-2-fluorophenyl)methyl]-2,2-dimethylbutane-1,4-diamine
CID 115204907
1-[5-chloro-2-(2-chloro-4,5-difluorophenyl)phenyl]-N-methylmethanamine
CID 107476910

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-fluorophenyl)methyl]-1,1,1-trideuteriomethanamine?
The IUPAC name of N-[(5-chloro-2-fluorophenyl)methyl]-1,1,1-trideuteriomethanamine (CID 177195909) is N-[(5-chloro-2-fluorophenyl)methyl]-1,1,1-trideuteriomethanamine.
What is the SMILES notation for N-[(5-chloro-2-fluorophenyl)methyl]-1,1,1-trideuteriomethanamine?
The canonical SMILES for N-[(5-chloro-2-fluorophenyl)methyl]-1,1,1-trideuteriomethanamine is [2H]C([2H])([2H])NCc1cc(Cl)ccc1F.
What is the InChIKey of N-[(5-chloro-2-fluorophenyl)methyl]-1,1,1-trideuteriomethanamine?
The InChIKey is PZXLNIHUWNUZKU-FIBGUPNXSA-N. The full InChI is InChI=1S/C8H9ClFN/c1-11-5-6-4-7(9)2-3-8(6)10/h2-4,11H,5H2,1H3/i1D3.
What are the key properties of N-[(5-chloro-2-fluorophenyl)methyl]-1,1,1-trideuteriomethanamine?
N-[(5-chloro-2-fluorophenyl)methyl]-1,1,1-trideuteriomethanamine has a molecular weight of 176.64 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-fluorophenyl)methyl]-1,1,1-trideuteriomethanamine is sourced from PubChem (CID 177195909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).