N-[1-[4-(3-iminobutyl)phenyl]propyl]-4-methylaniline

C20H26N2 — CID 143376904

IUPACN-[1-[4-(3-iminobutyl)phenyl]propyl]-4-methylaniline
SMILES[H]/N=C(\C)CCc1ccc(C(CC)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C20H26N2/c1-4-20(22-19-13-5-15(2)6-14-19)18-11-9-17(10-12-18)8-7-16(3)21/h5-6,9-14,20-22H,4,7-8H2,1-3H3/b21-16+
InChIKeyHWPPSABNONYNTO-LTGZKZEYSA-N
MW294.44 g/mol
LogP5.53
Rot. Bonds7

About N-[1-[4-(3-iminobutyl)phenyl]propyl]-4-methylaniline

N-[1-[4-(3-iminobutyl)phenyl]propyl]-4-methylaniline (PubChem CID 143376904) has the molecular formula C20H26N2 and a molecular weight of 294.44 g/mol. Its IUPAC name is N-[1-[4-(3-iminobutyl)phenyl]propyl]-4-methylaniline.

Molecular Properties

Compound NameN-[1-[4-(3-iminobutyl)phenyl]propyl]-4-methylaniline
PubChem CID143376904
Molecular FormulaC20H26N2
Molecular Weight294.44 g/mol
Exact Mass294.21
IUPAC NameN-[1-[4-(3-iminobutyl)phenyl]propyl]-4-methylaniline
SMILES[H]/N=C(\C)CCc1ccc(C(CC)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C20H26N2/c1-4-20(22-19-13-5-15(2)6-14-19)18-11-9-17(10-12-18)8-7-16(3)21/h5-6,9-14,20-22H,4,7-8H2,1-3H3/b21-16+
InChIKeyHWPPSABNONYNTO-LTGZKZEYSA-N
XLogP5.53
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.44
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[1-(3,4-dichlorophenyl)propyl]-4-methylaniline
CID 43765753
N-[1-(4-methylphenyl)propyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 43193633
[3-[1-(4-methylphenyl)propylamino]phenyl]methanol
CID 43715171
4-methyl-N-[1-(4-propylphenyl)ethyl]aniline
CID 43111793
N-[1-(4-ethylphenyl)propyl]-4-iodoaniline
CID 43310116
3-[1-(4-methylphenyl)propylamino]phenol
CID 43207013
3-(4-methylphenyl)-N-[(1R)-1-phenylpropyl]propanamide
CID 92675135
4-methyl-N-[1-[4-[2-(4-methylphenyl)-2-phenylethenyl]phenyl]propyl]aniline
CID 122484978
2-[4-[1-(4-methylphenyl)ethylamino]phenyl]ethanol
CID 61238927
ethyl 4-[[1-(4-methylphenyl)-3-oxo-5-phenylpentyl]amino]benzoate
CID 171975803
2-[4-[1-(3,4-dimethoxyphenyl)propylamino]phenyl]ethanol
CID 110902643
1-[4-(1-phenylpropylamino)phenyl]ethanone
CID 114468209

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(3-iminobutyl)phenyl]propyl]-4-methylaniline?
The IUPAC name of N-[1-[4-(3-iminobutyl)phenyl]propyl]-4-methylaniline (CID 143376904) is N-[1-[4-(3-iminobutyl)phenyl]propyl]-4-methylaniline.
What is the SMILES notation for N-[1-[4-(3-iminobutyl)phenyl]propyl]-4-methylaniline?
The canonical SMILES for N-[1-[4-(3-iminobutyl)phenyl]propyl]-4-methylaniline is [H]/N=C(\C)CCc1ccc(C(CC)Nc2ccc(C)cc2)cc1.
What is the InChIKey of N-[1-[4-(3-iminobutyl)phenyl]propyl]-4-methylaniline?
The InChIKey is HWPPSABNONYNTO-LTGZKZEYSA-N. The full InChI is InChI=1S/C20H26N2/c1-4-20(22-19-13-5-15(2)6-14-19)18-11-9-17(10-12-18)8-7-16(3)21/h5-6,9-14,20-22H,4,7-8H2,1-3H3/b21-16+.
What are the key properties of N-[1-[4-(3-iminobutyl)phenyl]propyl]-4-methylaniline?
N-[1-[4-(3-iminobutyl)phenyl]propyl]-4-methylaniline has a molecular weight of 294.44 g/mol, XLogP of 5.53, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(3-iminobutyl)phenyl]propyl]-4-methylaniline is sourced from PubChem (CID 143376904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).