1-(2-chloro-4-fluoro-5-methylphenyl)-N-ethylethanamine

C11H15ClFN — CID 81045762

IUPAC1-(2-chloro-4-fluoro-5-methylphenyl)-N-ethylethanamine
SMILESCCNC(C)c1cc(C)c(F)cc1Cl
InChIInChI=1S/C11H15ClFN/c1-4-14-8(3)9-5-7(2)11(13)6-10(9)12/h5-6,8,14H,4H2,1-3H3
InChIKeyNMUCHHPCSCEPBO-UHFFFAOYSA-N
MW215.70 g/mol
LogP3.46
Rot. Bonds3

About 1-(2-chloro-4-fluoro-5-methylphenyl)-N-ethylethanamine

1-(2-chloro-4-fluoro-5-methylphenyl)-N-ethylethanamine (PubChem CID 81045762) has the molecular formula C11H15ClFN and a molecular weight of 215.70 g/mol. Its IUPAC name is 1-(2-chloro-4-fluoro-5-methylphenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(2-chloro-4-fluoro-5-methylphenyl)-N-ethylethanamine
PubChem CID81045762
Molecular FormulaC11H15ClFN
Molecular Weight215.70 g/mol
Exact Mass215.09
IUPAC Name1-(2-chloro-4-fluoro-5-methylphenyl)-N-ethylethanamine
SMILESCCNC(C)c1cc(C)c(F)cc1Cl
InChIInChI=1S/C11H15ClFN/c1-4-14-8(3)9-5-7(2)11(13)6-10(9)12/h5-6,8,14H,4H2,1-3H3
InChIKeyNMUCHHPCSCEPBO-UHFFFAOYSA-N
XLogP3.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.70
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-5-fluoro-4-methyl-2-propan-2-ylbenzene
CID 59135078
N-[(2-chloro-4-fluoro-5-methylphenyl)-(2-chlorophenyl)methyl]ethanamine
CID 81045063
1-(2-chloro-4-fluoro-5-methylphenyl)-2,3-dimethyl-N-propylbutan-1-amine
CID 81044916
N-ethyl-1-[5-fluoro-4-methyl-2-(3-methylbutan-2-ylsulfanyl)phenyl]ethanamine
CID 107750762
N-[(5-bromo-2-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methyl]ethanamine
CID 81049108
N-[(2-chloro-4-fluoro-5-methylphenyl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 81045516
1-(2-chloro-4-fluoro-5-methylphenyl)-N-ethyl-2-methyl-2-methylsulfonylpropan-1-amine
CID 81045137
1-(2-chloro-4-fluoro-5-methylphenyl)-2-cyclopentyl-N-ethylethanamine
CID 81045290
1-(2-chloro-4-fluoro-5-methylphenyl)propan-1-ol
CID 81045937
N-[(2-bromo-5-methylphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methyl]ethanamine
CID 81110203
N-[(3-bromo-5-methylphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methyl]ethanamine
CID 104851377
N-ethyl-1-(5-fluoro-4-methyl-2-pentylsulfanylphenyl)ethanamine
CID 107750671

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluoro-5-methylphenyl)-N-ethylethanamine?
The IUPAC name of 1-(2-chloro-4-fluoro-5-methylphenyl)-N-ethylethanamine (CID 81045762) is 1-(2-chloro-4-fluoro-5-methylphenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(2-chloro-4-fluoro-5-methylphenyl)-N-ethylethanamine?
The canonical SMILES for 1-(2-chloro-4-fluoro-5-methylphenyl)-N-ethylethanamine is CCNC(C)c1cc(C)c(F)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-fluoro-5-methylphenyl)-N-ethylethanamine?
The InChIKey is NMUCHHPCSCEPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFN/c1-4-14-8(3)9-5-7(2)11(13)6-10(9)12/h5-6,8,14H,4H2,1-3H3.
What are the key properties of 1-(2-chloro-4-fluoro-5-methylphenyl)-N-ethylethanamine?
1-(2-chloro-4-fluoro-5-methylphenyl)-N-ethylethanamine has a molecular weight of 215.70 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluoro-5-methylphenyl)-N-ethylethanamine is sourced from PubChem (CID 81045762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).