2-(3-chloro-2-fluoro-5-methylphenyl)-N-methylethanamine

C10H13ClFN — CID 84670371

IUPAC2-(3-chloro-2-fluoro-5-methylphenyl)-N-methylethanamine
SMILESCNCCc1cc(C)cc(Cl)c1F
InChIInChI=1S/C10H13ClFN/c1-7-5-8(3-4-13-2)10(12)9(11)6-7/h5-6,13H,3-4H2,1-2H3
InChIKeyZBVMISIEENRXRC-UHFFFAOYSA-N
MW201.67 g/mol
LogP2.55
Rot. Bonds3

About 2-(3-chloro-2-fluoro-5-methylphenyl)-N-methylethanamine

2-(3-chloro-2-fluoro-5-methylphenyl)-N-methylethanamine (PubChem CID 84670371) has the molecular formula C10H13ClFN and a molecular weight of 201.67 g/mol. Its IUPAC name is 2-(3-chloro-2-fluoro-5-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-chloro-2-fluoro-5-methylphenyl)-N-methylethanamine
PubChem CID84670371
Molecular FormulaC10H13ClFN
Molecular Weight201.67 g/mol
Exact Mass201.07
IUPAC Name2-(3-chloro-2-fluoro-5-methylphenyl)-N-methylethanamine
SMILESCNCCc1cc(C)cc(Cl)c1F
InChIInChI=1S/C10H13ClFN/c1-7-5-8(3-4-13-2)10(12)9(11)6-7/h5-6,13H,3-4H2,1-2H3
InChIKeyZBVMISIEENRXRC-UHFFFAOYSA-N
XLogP2.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.67
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-chloro-2-fluoro-5-methylphenyl)propanal
CID 117289566
3-(3-chloro-2-fluoro-5-methylphenyl)propanoic acid
CID 84682257
1-(3-chloro-2-fluoro-5-methylphenyl)propan-2-one
CID 84669702
2-(7-chloro-5-methyl-1-benzofuran-3-yl)-N-methylethanamine
CID 81049955
1-(3-chloro-2-fluoro-5-methylphenyl)-2-(methylamino)ethanol
CID 84683309
N-methyl-2-(2,4,5-trifluorophenyl)ethanamine
CID 84661887
2-(3-bromo-5-chloro-2,4-dimethylphenyl)-N-methylethanamine
CID 84811084
2-(3,6-dichloro-2-fluorophenyl)-N-methylethanamine
CID 84687329
2-(2-ethyl-4-methylphenyl)-N-methylethanamine
CID 142812232
2-(5-chloro-2,3-dimethoxy-4-methylphenyl)-N-methylethanamine
CID 117361566
3-(2-chloro-5-fluoro-4-methylphenyl)-N-methylpropan-1-amine
CID 116924706
N-methyl-2-(3,4,5-trifluorophenyl)ethanamine
CID 64866186

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluoro-5-methylphenyl)-N-methylethanamine?
The IUPAC name of 2-(3-chloro-2-fluoro-5-methylphenyl)-N-methylethanamine (CID 84670371) is 2-(3-chloro-2-fluoro-5-methylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(3-chloro-2-fluoro-5-methylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(3-chloro-2-fluoro-5-methylphenyl)-N-methylethanamine is CNCCc1cc(C)cc(Cl)c1F.
What is the InChIKey of 2-(3-chloro-2-fluoro-5-methylphenyl)-N-methylethanamine?
The InChIKey is ZBVMISIEENRXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFN/c1-7-5-8(3-4-13-2)10(12)9(11)6-7/h5-6,13H,3-4H2,1-2H3.
What are the key properties of 2-(3-chloro-2-fluoro-5-methylphenyl)-N-methylethanamine?
2-(3-chloro-2-fluoro-5-methylphenyl)-N-methylethanamine has a molecular weight of 201.67 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluoro-5-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 84670371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).