N-[[2-(2,4-dimethylphenyl)phenyl]methyl]propan-1-amine

C18H23N — CID 55110548

IUPACN-[[2-(2,4-dimethylphenyl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1-c1ccc(C)cc1C
InChIInChI=1S/C18H23N/c1-4-11-19-13-16-7-5-6-8-18(16)17-10-9-14(2)12-15(17)3/h5-10,12,19H,4,11,13H2,1-3H3
InChIKeyXLQZIUIUFQXNHF-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.47
Rot. Bonds5

About N-[[2-(2,4-dimethylphenyl)phenyl]methyl]propan-1-amine

N-[[2-(2,4-dimethylphenyl)phenyl]methyl]propan-1-amine (PubChem CID 55110548) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is N-[[2-(2,4-dimethylphenyl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(2,4-dimethylphenyl)phenyl]methyl]propan-1-amine
PubChem CID55110548
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC NameN-[[2-(2,4-dimethylphenyl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1-c1ccc(C)cc1C
InChIInChI=1S/C18H23N/c1-4-11-19-13-16-7-5-6-8-18(16)17-10-9-14(2)12-15(17)3/h5-10,12,19H,4,11,13H2,1-3H3
InChIKeyXLQZIUIUFQXNHF-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(4-methoxy-2-methylphenyl)phenyl]methyl]propan-1-amine
CID 61032764
2,4-dimethyl-1-(2-propylphenyl)benzene
CID 123254969
1-[2-(chloromethyl)phenyl]-2,4-dimethylbenzene
CID 43840277
N-[[2-(2,5-dimethylphenyl)sulfanylphenyl]methyl]propan-1-amine
CID 63806875
N-[[2-(2,5-dichlorophenyl)phenyl]methyl]propan-1-amine
CID 63424612
N-[[2-(2,3-dichlorophenyl)phenyl]methyl]propan-1-amine
CID 63424188
N-[[2-(2,4,6-trimethylphenyl)phenyl]methyl]ethanamine
CID 54910365
N-[[5-chloro-2-(2-fluoro-5-methylphenyl)phenyl]methyl]propan-1-amine
CID 66159702
N-[(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 61033992
1-[2-(2,4-dimethylphenyl)phenyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine
CID 154872775
N-[[2-(3-methyl-1-propylpyrazol-4-yl)phenyl]methyl]propan-1-amine
CID 66022687
N-[[2-(4-propylphenyl)phenyl]methyl]propan-1-amine
CID 63424634

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,4-dimethylphenyl)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(2,4-dimethylphenyl)phenyl]methyl]propan-1-amine (CID 55110548) is N-[[2-(2,4-dimethylphenyl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(2,4-dimethylphenyl)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(2,4-dimethylphenyl)phenyl]methyl]propan-1-amine is CCCNCc1ccccc1-c1ccc(C)cc1C.
What is the InChIKey of N-[[2-(2,4-dimethylphenyl)phenyl]methyl]propan-1-amine?
The InChIKey is XLQZIUIUFQXNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-4-11-19-13-16-7-5-6-8-18(16)17-10-9-14(2)12-15(17)3/h5-10,12,19H,4,11,13H2,1-3H3.
What are the key properties of N-[[2-(2,4-dimethylphenyl)phenyl]methyl]propan-1-amine?
N-[[2-(2,4-dimethylphenyl)phenyl]methyl]propan-1-amine has a molecular weight of 253.39 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,4-dimethylphenyl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 55110548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).