N-[(2,4-dimethylphenyl)methyl]-4-propoxyaniline

C18H23NO — CID 63476952

IUPACN-[(2,4-dimethylphenyl)methyl]-4-propoxyaniline
SMILESCCCOc1ccc(NCc2ccc(C)cc2C)cc1
InChIInChI=1S/C18H23NO/c1-4-11-20-18-9-7-17(8-10-18)19-13-16-6-5-14(2)12-15(16)3/h5-10,12,19H,4,11,13H2,1-3H3
InChIKeyQSPVVLDTJNGWGB-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.70
Rot. Bonds6

About N-[(2,4-dimethylphenyl)methyl]-4-propoxyaniline

N-[(2,4-dimethylphenyl)methyl]-4-propoxyaniline (PubChem CID 63476952) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)methyl]-4-propoxyaniline.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)methyl]-4-propoxyaniline
PubChem CID63476952
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-[(2,4-dimethylphenyl)methyl]-4-propoxyaniline
SMILESCCCOc1ccc(NCc2ccc(C)cc2C)cc1
InChIInChI=1S/C18H23NO/c1-4-11-20-18-9-7-17(8-10-18)19-13-16-6-5-14(2)12-15(16)3/h5-10,12,19H,4,11,13H2,1-3H3
InChIKeyQSPVVLDTJNGWGB-UHFFFAOYSA-N
XLogP4.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[(2-methoxy-5-methylphenyl)methyl]-4-propoxyaniline
CID 62327636
N-[(5-fluoro-2-methylphenyl)methyl]-4-propoxyaniline
CID 105370985
N-[(2,4-dimethylphenyl)methyl]-4-propylaniline
CID 28533928
N-[2-(4-methylphenoxy)ethyl]-4-propoxyaniline
CID 54799087
4-methyl-N-[2-(4-propoxyphenoxy)ethyl]aniline
CID 63517332
N-methyl-1-(2-methyl-4-propoxyphenyl)methanamine
CID 82553666
4-hexoxy-N-[(2-methylphenyl)methyl]aniline
CID 54798876
N-[(3-fluoro-4-methylphenyl)methyl]-4-propoxyaniline
CID 63645716
4-butan-2-yl-N-[(2,4-dimethylphenyl)methyl]aniline
CID 43681046
4-methyl-N-[(2-propoxyphenyl)methyl]aniline
CID 39357777
2-[[5-[(2,4-dimethylphenyl)methylamino]-2-pyridinyl]oxy]ethanol
CID 109379933
N-[2-(4-methylphenoxy)propyl]-4-propoxyaniline
CID 54799010

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)methyl]-4-propoxyaniline?
The IUPAC name of N-[(2,4-dimethylphenyl)methyl]-4-propoxyaniline (CID 63476952) is N-[(2,4-dimethylphenyl)methyl]-4-propoxyaniline.
What is the SMILES notation for N-[(2,4-dimethylphenyl)methyl]-4-propoxyaniline?
The canonical SMILES for N-[(2,4-dimethylphenyl)methyl]-4-propoxyaniline is CCCOc1ccc(NCc2ccc(C)cc2C)cc1.
What is the InChIKey of N-[(2,4-dimethylphenyl)methyl]-4-propoxyaniline?
The InChIKey is QSPVVLDTJNGWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-4-11-20-18-9-7-17(8-10-18)19-13-16-6-5-14(2)12-15(16)3/h5-10,12,19H,4,11,13H2,1-3H3.
What are the key properties of N-[(2,4-dimethylphenyl)methyl]-4-propoxyaniline?
N-[(2,4-dimethylphenyl)methyl]-4-propoxyaniline has a molecular weight of 269.39 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)methyl]-4-propoxyaniline is sourced from PubChem (CID 63476952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).