1-(2-chloro-4-fluorophenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine

C18H21ClFN — CID 63420241

IUPAC1-(2-chloro-4-fluorophenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine
SMILESCNC(Cc1c(C)cc(C)cc1C)c1ccc(F)cc1Cl
InChIInChI=1S/C18H21ClFN/c1-11-7-12(2)16(13(3)8-11)10-18(21-4)15-6-5-14(20)9-17(15)19/h5-9,18,21H,10H2,1-4H3
InChIKeyGRVTYCWOSZROFL-UHFFFAOYSA-N
MW305.82 g/mol
LogP4.91
Rot. Bonds4

About 1-(2-chloro-4-fluorophenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine

1-(2-chloro-4-fluorophenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine (PubChem CID 63420241) has the molecular formula C18H21ClFN and a molecular weight of 305.82 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine
PubChem CID63420241
Molecular FormulaC18H21ClFN
Molecular Weight305.82 g/mol
Exact Mass305.13
IUPAC Name1-(2-chloro-4-fluorophenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine
SMILESCNC(Cc1c(C)cc(C)cc1C)c1ccc(F)cc1Cl
InChIInChI=1S/C18H21ClFN/c1-11-7-12(2)16(13(3)8-11)10-18(21-4)15-6-5-14(20)9-17(15)19/h5-9,18,21H,10H2,1-4H3
InChIKeyGRVTYCWOSZROFL-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.82
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-difluorophenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine
CID 63417959
1-(5-fluoro-2-methylphenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine
CID 63416549
1-(2-chloro-4-fluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 63419886
1-(4-fluorophenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine
CID 62549311
1-(2-chloro-4-fluorophenyl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine
CID 66447132
1-(2-chloro-4-fluorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 63420064
1-(2-chloro-4-fluorophenyl)-N,4-dimethylpentan-1-amine
CID 62946027
2-(2-bromophenyl)-1-(2-chloro-4-fluorophenyl)-N-methylethanamine
CID 63420196
1-(2-chloro-4,5-dimethylphenyl)-1-(2-chloro-4-fluorophenyl)-N-methylmethanamine
CID 115483862
2-[chloro-(2-chloro-4-fluorophenyl)methyl]-1,3,5-trimethylbenzene
CID 63431338
1-(2-chloro-4-fluorophenyl)-N-methyl-3-methylsulfonylpropan-1-amine
CID 55152422
1-(2-chloro-4-fluorophenyl)-3-ethyl-N-methylheptan-1-amine
CID 63419888

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine (CID 63420241) is 1-(2-chloro-4-fluorophenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine is CNC(Cc1c(C)cc(C)cc1C)c1ccc(F)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine?
The InChIKey is GRVTYCWOSZROFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClFN/c1-11-7-12(2)16(13(3)8-11)10-18(21-4)15-6-5-14(20)9-17(15)19/h5-9,18,21H,10H2,1-4H3.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine?
1-(2-chloro-4-fluorophenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine has a molecular weight of 305.82 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine is sourced from PubChem (CID 63420241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).