N-[(2,5-dimethylphenyl)methyl]-4-propylaniline

C18H23N — CID 55198828

IUPACN-[(2,5-dimethylphenyl)methyl]-4-propylaniline
SMILESCCCc1ccc(NCc2cc(C)ccc2C)cc1
InChIInChI=1S/C18H23N/c1-4-5-16-8-10-18(11-9-16)19-13-17-12-14(2)6-7-15(17)3/h6-12,19H,4-5,13H2,1-3H3
InChIKeyYZHKJKGSCIZLFZ-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.87
Rot. Bonds5

About N-[(2,5-dimethylphenyl)methyl]-4-propylaniline

N-[(2,5-dimethylphenyl)methyl]-4-propylaniline (PubChem CID 55198828) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is N-[(2,5-dimethylphenyl)methyl]-4-propylaniline.

Molecular Properties

Compound NameN-[(2,5-dimethylphenyl)methyl]-4-propylaniline
PubChem CID55198828
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC NameN-[(2,5-dimethylphenyl)methyl]-4-propylaniline
SMILESCCCc1ccc(NCc2cc(C)ccc2C)cc1
InChIInChI=1S/C18H23N/c1-4-5-16-8-10-18(11-9-16)19-13-17-12-14(2)6-7-15(17)3/h6-12,19H,4-5,13H2,1-3H3
InChIKeyYZHKJKGSCIZLFZ-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-[(2,4-dimethylphenyl)methyl]-4-propylaniline
CID 28533928
N-[(5-fluoro-2-methylphenyl)methyl]-4-propylaniline
CID 105370804
2-[(4-butylanilino)methyl]-4-methylphenol
CID 63326661
N-[(2,5-dimethylphenyl)methyl]-3,5-dimethylaniline
CID 60685873
N-[(2,5-dimethylphenyl)methyl]-4-ethylsulfonylaniline
CID 60711317
1-[4-[(2,5-dimethylphenyl)methylamino]phenyl]ethanone
CID 83313035
N-[(2,5-dimethylphenyl)methyl]-4-(triazol-2-yl)aniline
CID 61062837
3-methyl-N-[(4-propylphenyl)methyl]aniline
CID 94687555
N-[(5-methyl-3-pyridinyl)methyl]-4-propylaniline
CID 102880731
N-[(5-methyl-2-pyridinyl)methyl]-4-propylaniline
CID 81311656
4-fluoro-2-[(4-propylanilino)methyl]phenol
CID 103947766
3-(chloromethyl)-N-[(2,5-dimethylphenyl)methyl]-4-ethoxyaniline
CID 65024656

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylphenyl)methyl]-4-propylaniline?
The IUPAC name of N-[(2,5-dimethylphenyl)methyl]-4-propylaniline (CID 55198828) is N-[(2,5-dimethylphenyl)methyl]-4-propylaniline.
What is the SMILES notation for N-[(2,5-dimethylphenyl)methyl]-4-propylaniline?
The canonical SMILES for N-[(2,5-dimethylphenyl)methyl]-4-propylaniline is CCCc1ccc(NCc2cc(C)ccc2C)cc1.
What is the InChIKey of N-[(2,5-dimethylphenyl)methyl]-4-propylaniline?
The InChIKey is YZHKJKGSCIZLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-4-5-16-8-10-18(11-9-16)19-13-17-12-14(2)6-7-15(17)3/h6-12,19H,4-5,13H2,1-3H3.
What are the key properties of N-[(2,5-dimethylphenyl)methyl]-4-propylaniline?
N-[(2,5-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-[(2,5-dimethylphenyl)methyl]-4-propylaniline is sourced from PubChem (CID 55198828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).