N-[[4-methyl-3-(2,4,5-trimethylphenyl)phenyl]methyl]ethanamine

C19H25N — CID 105408911

IUPACN-[[4-methyl-3-(2,4,5-trimethylphenyl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(C)c(-c2cc(C)c(C)cc2C)c1
InChIInChI=1S/C19H25N/c1-6-20-12-17-8-7-13(2)19(11-17)18-10-15(4)14(3)9-16(18)5/h7-11,20H,6,12H2,1-5H3
InChIKeyREPFVJIEMIQYMF-UHFFFAOYSA-N
MW267.42 g/mol
LogP4.70
Rot. Bonds4

About N-[[4-methyl-3-(2,4,5-trimethylphenyl)phenyl]methyl]ethanamine

N-[[4-methyl-3-(2,4,5-trimethylphenyl)phenyl]methyl]ethanamine (PubChem CID 105408911) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is N-[[4-methyl-3-(2,4,5-trimethylphenyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-methyl-3-(2,4,5-trimethylphenyl)phenyl]methyl]ethanamine
PubChem CID105408911
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC NameN-[[4-methyl-3-(2,4,5-trimethylphenyl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(C)c(-c2cc(C)c(C)cc2C)c1
InChIInChI=1S/C19H25N/c1-6-20-12-17-8-7-13(2)19(11-17)18-10-15(4)14(3)9-16(18)5/h7-11,20H,6,12H2,1-5H3
InChIKeyREPFVJIEMIQYMF-UHFFFAOYSA-N
XLogP4.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[4-(2,4,5-trimethylphenyl)phenyl]methyl]ethanamine
CID 64985239
N-[[3-(2,3-dimethylphenyl)-4-methylphenyl]methyl]ethanamine
CID 105408635
N-[[3-(3,5-dimethylphenyl)-4-methylphenyl]methyl]ethanamine
CID 105408285
N-[[3-(2,5-dimethoxyphenyl)-4-methylphenyl]methyl]ethanamine
CID 105408656
N-[[4-methyl-3-(2,4,5-trimethylphenyl)phenyl]methyl]propan-2-amine
CID 105408916
N-[[3-(4-methoxy-3-methylphenyl)-4-methylphenyl]methyl]ethanamine
CID 105409944
N-[[3-(3-fluoro-4-pyridinyl)-4-methylphenyl]methyl]ethanamine
CID 105409491
N-[[4-methyl-3-(5-methylthiophen-3-yl)phenyl]methyl]ethanamine
CID 105408935
N-[(3-bromo-4-methylphenyl)methyl]ethanamine
CID 81471854
N-[[4-(2-methoxy-3,4-dimethylphenyl)-3-methylphenyl]methyl]ethanamine
CID 103434154
N-[[4-methyl-3-[3-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine
CID 105408643
N-[[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methylphenyl]methyl]ethanamine
CID 105409982

Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-3-(2,4,5-trimethylphenyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-methyl-3-(2,4,5-trimethylphenyl)phenyl]methyl]ethanamine (CID 105408911) is N-[[4-methyl-3-(2,4,5-trimethylphenyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-methyl-3-(2,4,5-trimethylphenyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-methyl-3-(2,4,5-trimethylphenyl)phenyl]methyl]ethanamine is CCNCc1ccc(C)c(-c2cc(C)c(C)cc2C)c1.
What is the InChIKey of N-[[4-methyl-3-(2,4,5-trimethylphenyl)phenyl]methyl]ethanamine?
The InChIKey is REPFVJIEMIQYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c1-6-20-12-17-8-7-13(2)19(11-17)18-10-15(4)14(3)9-16(18)5/h7-11,20H,6,12H2,1-5H3.
What are the key properties of N-[[4-methyl-3-(2,4,5-trimethylphenyl)phenyl]methyl]ethanamine?
N-[[4-methyl-3-(2,4,5-trimethylphenyl)phenyl]methyl]ethanamine has a molecular weight of 267.42 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-3-(2,4,5-trimethylphenyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 105408911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).