N-ethyl-2-(3-methylphenyl)-1-(2,4,5-trimethylphenyl)ethanamine

C20H27N — CID 64990255

IUPACN-ethyl-2-(3-methylphenyl)-1-(2,4,5-trimethylphenyl)ethanamine
SMILESCCNC(Cc1cccc(C)c1)c1cc(C)c(C)cc1C
InChIInChI=1S/C20H27N/c1-6-21-20(13-18-9-7-8-14(2)10-18)19-12-16(4)15(3)11-17(19)5/h7-12,20-21H,6,13H2,1-5H3
InChIKeyNYPCSIRKGWKXBD-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.81
Rot. Bonds5

About N-ethyl-2-(3-methylphenyl)-1-(2,4,5-trimethylphenyl)ethanamine

N-ethyl-2-(3-methylphenyl)-1-(2,4,5-trimethylphenyl)ethanamine (PubChem CID 64990255) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is N-ethyl-2-(3-methylphenyl)-1-(2,4,5-trimethylphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(3-methylphenyl)-1-(2,4,5-trimethylphenyl)ethanamine
PubChem CID64990255
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC NameN-ethyl-2-(3-methylphenyl)-1-(2,4,5-trimethylphenyl)ethanamine
SMILESCCNC(Cc1cccc(C)c1)c1cc(C)c(C)cc1C
InChIInChI=1S/C20H27N/c1-6-21-20(13-18-9-7-8-14(2)10-18)19-12-16(4)15(3)11-17(19)5/h7-12,20-21H,6,13H2,1-5H3
InChIKeyNYPCSIRKGWKXBD-UHFFFAOYSA-N
XLogP4.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromophenyl)-N-ethyl-1-(2,4,5-trimethylphenyl)ethanamine
CID 64990001
N-ethyl-1-(2-methylphenyl)-2-(3-methylphenyl)ethanamine
CID 55025976
2-(4-chlorophenyl)-N-ethyl-1-(2,4,5-trimethylphenyl)ethanamine
CID 64990147
1-(5-bromo-2-methoxyphenyl)-N-ethyl-2-(3-methylphenyl)ethanamine
CID 63507204
N-ethyl-1-(3-methoxy-4-methylphenyl)-2-(3-methylphenyl)ethanamine
CID 62389756
1-(2-chloro-4-fluorophenyl)-N-ethyl-2-(3-methylphenyl)ethanamine
CID 63420154
1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-2-(3-methylphenyl)ethanamine
CID 102803003
N-ethyl-2-(3-methylphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 65152804
N-ethyl-1-(4-methoxyphenyl)-2-(3-methylphenyl)ethanamine
CID 60798862
1-(5-bromofuran-2-yl)-N-ethyl-2-(3-methylphenyl)ethanamine
CID 55067944
N-ethyl-1-(3-methoxyphenyl)-2-(3-methylphenyl)ethanamine
CID 60797782
1-(2,4-dimethylphenyl)-N-ethyl-2-(4-ethylphenyl)ethanamine
CID 115803668

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-methylphenyl)-1-(2,4,5-trimethylphenyl)ethanamine?
The IUPAC name of N-ethyl-2-(3-methylphenyl)-1-(2,4,5-trimethylphenyl)ethanamine (CID 64990255) is N-ethyl-2-(3-methylphenyl)-1-(2,4,5-trimethylphenyl)ethanamine.
What is the SMILES notation for N-ethyl-2-(3-methylphenyl)-1-(2,4,5-trimethylphenyl)ethanamine?
The canonical SMILES for N-ethyl-2-(3-methylphenyl)-1-(2,4,5-trimethylphenyl)ethanamine is CCNC(Cc1cccc(C)c1)c1cc(C)c(C)cc1C.
What is the InChIKey of N-ethyl-2-(3-methylphenyl)-1-(2,4,5-trimethylphenyl)ethanamine?
The InChIKey is NYPCSIRKGWKXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-6-21-20(13-18-9-7-8-14(2)10-18)19-12-16(4)15(3)11-17(19)5/h7-12,20-21H,6,13H2,1-5H3.
What are the key properties of N-ethyl-2-(3-methylphenyl)-1-(2,4,5-trimethylphenyl)ethanamine?
N-ethyl-2-(3-methylphenyl)-1-(2,4,5-trimethylphenyl)ethanamine has a molecular weight of 281.44 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-methylphenyl)-1-(2,4,5-trimethylphenyl)ethanamine is sourced from PubChem (CID 64990255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).