N-[(3-chloro-5-fluorophenyl)methyl]-N-methylethanamine

C10H13ClFN — CID 130637213

IUPACN-[(3-chloro-5-fluorophenyl)methyl]-N-methylethanamine
SMILESCCN(C)Cc1cc(F)cc(Cl)c1
InChIInChI=1S/C10H13ClFN/c1-3-13(2)7-8-4-9(11)6-10(12)5-8/h4-6H,3,7H2,1-2H3
InChIKeyZBHKMPBMYOMDLW-UHFFFAOYSA-N
MW201.67 g/mol
LogP2.93
Rot. Bonds3

About N-[(3-chloro-5-fluorophenyl)methyl]-N-methylethanamine

N-[(3-chloro-5-fluorophenyl)methyl]-N-methylethanamine (PubChem CID 130637213) has the molecular formula C10H13ClFN and a molecular weight of 201.67 g/mol. Its IUPAC name is N-[(3-chloro-5-fluorophenyl)methyl]-N-methylethanamine.

Molecular Properties

Compound NameN-[(3-chloro-5-fluorophenyl)methyl]-N-methylethanamine
PubChem CID130637213
Molecular FormulaC10H13ClFN
Molecular Weight201.67 g/mol
Exact Mass201.07
IUPAC NameN-[(3-chloro-5-fluorophenyl)methyl]-N-methylethanamine
SMILESCCN(C)Cc1cc(F)cc(Cl)c1
InChIInChI=1S/C10H13ClFN/c1-3-13(2)7-8-4-9(11)6-10(12)5-8/h4-6H,3,7H2,1-2H3
InChIKeyZBHKMPBMYOMDLW-UHFFFAOYSA-N
XLogP2.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.67
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-5-fluorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylmethanamine
CID 77079167
4-[(3-chloro-5-fluorophenyl)methyl-methylamino]butanoic acid
CID 114454951
2-[(3-chloro-5-fluorophenyl)methyl-methylamino]propanoic acid
CID 114454928
4-N-[(3-chloro-5-fluorophenyl)methyl]-4-N-propylcyclohexane-1,4-diamine
CID 114453799
N-[(3-chloro-5-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624521
1-chloro-3,5-difluorobenzene
CID 159732874
1-N-[(3-chloro-5-fluorophenyl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
CID 114452251
1-chloro-3-(2-ethylpentyl)-5-fluorobenzene
CID 134350975
N-[(3-chloro-5-fluorophenyl)methyl]hydroxylamine
CID 114453047
N-[(3-chloro-5-fluorophenyl)methyl]-N',N'-dimethylbutane-1,4-diamine
CID 114452806
N-[(3-chloro-5-fluorophenyl)methyl]-1-(1-ethylpiperidin-4-yl)methanamine
CID 114452786
(2S)-4-(3-chloro-5-fluorophenyl)butan-2-amine
CID 130650457

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-5-fluorophenyl)methyl]-N-methylethanamine?
The IUPAC name of N-[(3-chloro-5-fluorophenyl)methyl]-N-methylethanamine (CID 130637213) is N-[(3-chloro-5-fluorophenyl)methyl]-N-methylethanamine.
What is the SMILES notation for N-[(3-chloro-5-fluorophenyl)methyl]-N-methylethanamine?
The canonical SMILES for N-[(3-chloro-5-fluorophenyl)methyl]-N-methylethanamine is CCN(C)Cc1cc(F)cc(Cl)c1.
What is the InChIKey of N-[(3-chloro-5-fluorophenyl)methyl]-N-methylethanamine?
The InChIKey is ZBHKMPBMYOMDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFN/c1-3-13(2)7-8-4-9(11)6-10(12)5-8/h4-6H,3,7H2,1-2H3.
What are the key properties of N-[(3-chloro-5-fluorophenyl)methyl]-N-methylethanamine?
N-[(3-chloro-5-fluorophenyl)methyl]-N-methylethanamine has a molecular weight of 201.67 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-5-fluorophenyl)methyl]-N-methylethanamine is sourced from PubChem (CID 130637213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).