1-(3-chloro-5-fluoro-2,4-dimethylphenyl)ethanamine

C10H13ClFN — CID 84776597

IUPAC1-(3-chloro-5-fluoro-2,4-dimethylphenyl)ethanamine
SMILESCc1c(F)cc(C(C)N)c(C)c1Cl
InChIInChI=1S/C10H13ClFN/c1-5-8(7(3)13)4-9(12)6(2)10(5)11/h4,7H,13H2,1-3H3
InChIKeyXBXUSQJUCVNERI-UHFFFAOYSA-N
MW201.67 g/mol
LogP3.12
Rot. Bonds1

About 1-(3-chloro-5-fluoro-2,4-dimethylphenyl)ethanamine

1-(3-chloro-5-fluoro-2,4-dimethylphenyl)ethanamine (PubChem CID 84776597) has the molecular formula C10H13ClFN and a molecular weight of 201.67 g/mol. Its IUPAC name is 1-(3-chloro-5-fluoro-2,4-dimethylphenyl)ethanamine.

Molecular Properties

Compound Name1-(3-chloro-5-fluoro-2,4-dimethylphenyl)ethanamine
PubChem CID84776597
Molecular FormulaC10H13ClFN
Molecular Weight201.67 g/mol
Exact Mass201.07
IUPAC Name1-(3-chloro-5-fluoro-2,4-dimethylphenyl)ethanamine
SMILESCc1c(F)cc(C(C)N)c(C)c1Cl
InChIInChI=1S/C10H13ClFN/c1-5-8(7(3)13)4-9(12)6(2)10(5)11/h4,7H,13H2,1-3H3
InChIKeyXBXUSQJUCVNERI-UHFFFAOYSA-N
XLogP3.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.67
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(1-aminoethyl)-2-chloro-6-fluorobenzene-1,3-diol
CID 84778822
1-(3-chloro-5-fluoro-2,4-dimethoxyphenyl)ethanamine
CID 84796637
(1S)-1-(4-chloro-2-fluoro-5-methylphenyl)ethanamine
CID 55255941
4-[(1S)-1-aminoethyl]-2-fluoro-5-methylaniline
CID 130775695
2-[(1R)-1-aminoethyl]-4,5-difluorophenol
CID 55275252
(1R)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 45072341
(1S)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 45072344
1-(4-chloro-2-fluoro-3-methoxy-5-methylphenyl)ethanamine
CID 117310383
1-(3-chloro-5-fluoro-4-methylphenyl)propan-2-amine
CID 117290522
2-chloro-1,5-difluoro-3,4-dimethylbenzene
CID 143320030
1-(4-chloro-2-methylphenyl)ethanamine;ethane
CID 143031606
(1R)-1-(4,5-difluoro-2-methoxyphenyl)ethanamine
CID 55277831

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-fluoro-2,4-dimethylphenyl)ethanamine?
The IUPAC name of 1-(3-chloro-5-fluoro-2,4-dimethylphenyl)ethanamine (CID 84776597) is 1-(3-chloro-5-fluoro-2,4-dimethylphenyl)ethanamine.
What is the SMILES notation for 1-(3-chloro-5-fluoro-2,4-dimethylphenyl)ethanamine?
The canonical SMILES for 1-(3-chloro-5-fluoro-2,4-dimethylphenyl)ethanamine is Cc1c(F)cc(C(C)N)c(C)c1Cl.
What is the InChIKey of 1-(3-chloro-5-fluoro-2,4-dimethylphenyl)ethanamine?
The InChIKey is XBXUSQJUCVNERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFN/c1-5-8(7(3)13)4-9(12)6(2)10(5)11/h4,7H,13H2,1-3H3.
What are the key properties of 1-(3-chloro-5-fluoro-2,4-dimethylphenyl)ethanamine?
1-(3-chloro-5-fluoro-2,4-dimethylphenyl)ethanamine has a molecular weight of 201.67 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-fluoro-2,4-dimethylphenyl)ethanamine is sourced from PubChem (CID 84776597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).