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

C18H23N — CID 28533928

IUPACN-[(2,4-dimethylphenyl)methyl]-4-propylaniline
SMILESCCCc1ccc(NCc2ccc(C)cc2C)cc1
InChIInChI=1S/C18H23N/c1-4-5-16-7-10-18(11-8-16)19-13-17-9-6-14(2)12-15(17)3/h6-12,19H,4-5,13H2,1-3H3
InChIKeyDZSFVYIOZAKZRI-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.87
Rot. Bonds5

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

N-[(2,4-dimethylphenyl)methyl]-4-propylaniline (PubChem CID 28533928) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)methyl]-4-propylaniline.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)methyl]-4-propylaniline
PubChem CID28533928
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC NameN-[(2,4-dimethylphenyl)methyl]-4-propylaniline
SMILESCCCc1ccc(NCc2ccc(C)cc2C)cc1
InChIInChI=1S/C18H23N/c1-4-5-16-7-10-18(11-8-16)19-13-17-9-6-14(2)12-15(17)3/h6-12,19H,4-5,13H2,1-3H3
InChIKeyDZSFVYIOZAKZRI-UHFFFAOYSA-N
XLogP4.87
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 ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,5-dimethylphenyl)methyl]-4-propylaniline
CID 55198828
N-[(2,4-dimethylphenyl)methyl]-4-propoxyaniline
CID 63476952
N-[(5-fluoro-2-methylphenyl)methyl]-4-propylaniline
CID 105370804
4-butan-2-yl-N-[(2,4-dimethylphenyl)methyl]aniline
CID 43681046
2-[(4-butylanilino)methyl]-4-methylphenol
CID 63326661
2,4-dimethyl-N-(4-propylphenyl)benzamide
CID 42237293
3-methyl-N-[(4-propylphenyl)methyl]aniline
CID 94687555
3-bromo-N-[(2,4-dimethylphenyl)methyl]-5-methylaniline
CID 107582067
N-[(5-methyl-2-pyridinyl)methyl]-4-propylaniline
CID 81311656
N-[(5-methyl-3-pyridinyl)methyl]-4-propylaniline
CID 102880731
4-N-[(2,4-dimethylphenyl)methyl]-2-fluorobenzene-1,4-diamine
CID 115123857
4-fluoro-2-[(4-propylanilino)methyl]phenol
CID 103947766

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)methyl]-4-propylaniline?
The IUPAC name of N-[(2,4-dimethylphenyl)methyl]-4-propylaniline (CID 28533928) is N-[(2,4-dimethylphenyl)methyl]-4-propylaniline.
What is the SMILES notation for N-[(2,4-dimethylphenyl)methyl]-4-propylaniline?
The canonical SMILES for N-[(2,4-dimethylphenyl)methyl]-4-propylaniline is CCCc1ccc(NCc2ccc(C)cc2C)cc1.
What is the InChIKey of N-[(2,4-dimethylphenyl)methyl]-4-propylaniline?
The InChIKey is DZSFVYIOZAKZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-4-5-16-7-10-18(11-8-16)19-13-17-9-6-14(2)12-15(17)3/h6-12,19H,4-5,13H2,1-3H3.
What are the key properties of N-[(2,4-dimethylphenyl)methyl]-4-propylaniline?
N-[(2,4-dimethylphenyl)methyl]-4-propylaniline has a molecular weight of 253.39 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)methyl]-4-propylaniline is sourced from PubChem (CID 28533928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).