N-[[4-(2,4,5-trimethylphenyl)phenyl]methyl]ethanamine

C18H23N — CID 64985239

IUPACN-[[4-(2,4,5-trimethylphenyl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(-c2cc(C)c(C)cc2C)cc1
InChIInChI=1S/C18H23N/c1-5-19-12-16-6-8-17(9-7-16)18-11-14(3)13(2)10-15(18)4/h6-11,19H,5,12H2,1-4H3
InChIKeyJKMJJLFWJDDTQI-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.39
Rot. Bonds4

About N-[[4-(2,4,5-trimethylphenyl)phenyl]methyl]ethanamine

N-[[4-(2,4,5-trimethylphenyl)phenyl]methyl]ethanamine (PubChem CID 64985239) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is N-[[4-(2,4,5-trimethylphenyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(2,4,5-trimethylphenyl)phenyl]methyl]ethanamine
PubChem CID64985239
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC NameN-[[4-(2,4,5-trimethylphenyl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(-c2cc(C)c(C)cc2C)cc1
InChIInChI=1S/C18H23N/c1-5-19-12-16-6-8-17(9-7-16)18-11-14(3)13(2)10-15(18)4/h6-11,19H,5,12H2,1-4H3
InChIKeyJKMJJLFWJDDTQI-UHFFFAOYSA-N
XLogP4.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[4-methyl-3-(2,4,5-trimethylphenyl)phenyl]methyl]ethanamine
CID 105408911
N-methyl-1-[4-(2,4,5-trimethylphenyl)phenyl]methanamine
CID 64985369
N-[[4-(4-bromophenyl)-3-methylphenyl]methyl]ethanamine
CID 66479837
N-[(4-methylphenyl)methyl]ethanamine
CID 4716476
N-[[3-methyl-4-(4-propan-2-ylphenyl)phenyl]methyl]ethanamine
CID 66481816
N-[[4-(2,4,5-trifluorophenyl)phenyl]methyl]ethanamine
CID 115503166
N-[[3-(3,5-dimethylphenyl)-4-methylphenyl]methyl]ethanamine
CID 105408285
N-[[3-(4-methoxy-3-methylphenyl)-4-methylphenyl]methyl]ethanamine
CID 105409944
N-[[4-(4-propylphenyl)phenyl]methyl]ethanamine
CID 63424945
N-[[4-(3-fluoro-2-methylphenyl)phenyl]methyl]ethanamine
CID 115502833
N-[[4-(2-chloro-5-fluorophenyl)phenyl]methyl]ethanamine
CID 105395732
N-[[4-methyl-3-(5-methylthiophen-3-yl)phenyl]methyl]ethanamine
CID 105408935

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,4,5-trimethylphenyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-(2,4,5-trimethylphenyl)phenyl]methyl]ethanamine (CID 64985239) is N-[[4-(2,4,5-trimethylphenyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(2,4,5-trimethylphenyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(2,4,5-trimethylphenyl)phenyl]methyl]ethanamine is CCNCc1ccc(-c2cc(C)c(C)cc2C)cc1.
What is the InChIKey of N-[[4-(2,4,5-trimethylphenyl)phenyl]methyl]ethanamine?
The InChIKey is JKMJJLFWJDDTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-5-19-12-16-6-8-17(9-7-16)18-11-14(3)13(2)10-15(18)4/h6-11,19H,5,12H2,1-4H3.
What are the key properties of N-[[4-(2,4,5-trimethylphenyl)phenyl]methyl]ethanamine?
N-[[4-(2,4,5-trimethylphenyl)phenyl]methyl]ethanamine has a molecular weight of 253.39 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,4,5-trimethylphenyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 64985239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).