4-[1-(4-amino-3-methylphenyl)hexyl]-2-methylaniline

C20H28N2 — CID 174948270

IUPAC4-[1-(4-amino-3-methylphenyl)hexyl]-2-methylaniline
SMILESCCCCCC(c1ccc(N)c(C)c1)c1ccc(N)c(C)c1
InChIInChI=1S/C20H28N2/c1-4-5-6-7-18(16-8-10-19(21)14(2)12-16)17-9-11-20(22)15(3)13-17/h8-13,18H,4-7,21-22H2,1-3H3
InChIKeyPTNFSWHYYXYQDG-UHFFFAOYSA-N
MW296.46 g/mol
LogP5.18
Rot. Bonds6

About 4-[1-(4-amino-3-methylphenyl)hexyl]-2-methylaniline

4-[1-(4-amino-3-methylphenyl)hexyl]-2-methylaniline (PubChem CID 174948270) has the molecular formula C20H28N2 and a molecular weight of 296.46 g/mol. Its IUPAC name is 4-[1-(4-amino-3-methylphenyl)hexyl]-2-methylaniline.

Molecular Properties

Compound Name4-[1-(4-amino-3-methylphenyl)hexyl]-2-methylaniline
PubChem CID174948270
Molecular FormulaC20H28N2
Molecular Weight296.46 g/mol
Exact Mass296.23
IUPAC Name4-[1-(4-amino-3-methylphenyl)hexyl]-2-methylaniline
SMILESCCCCCC(c1ccc(N)c(C)c1)c1ccc(N)c(C)c1
InChIInChI=1S/C20H28N2/c1-4-5-6-7-18(16-8-10-19(21)14(2)12-16)17-9-11-20(22)15(3)13-17/h8-13,18H,4-7,21-22H2,1-3H3
InChIKeyPTNFSWHYYXYQDG-UHFFFAOYSA-N
XLogP5.18
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.46
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[1-(3,4-dimethylphenyl)decyl]-1,2-dimethylbenzene
CID 23336050
4-[1-(4-hydroxy-3-methylphenyl)octyl]-2-methylphenol
CID 22321255
1-(4-amino-3-methylphenyl)butan-1-ol
CID 164664307
1-(4-fluoro-3-methylphenyl)octan-1-amine
CID 55186805
4-[1-[4-[1-[4-[1-(4-amino-2-methylphenyl)undecyl]phenyl]hexyl]phenyl]undecyl]-3-methylaniline
CID 22919040
1-(4-fluoro-3-methylphenyl)hexylhydrazine
CID 105204173
4-[1-[4-[1-[4-[1-(4-amino-2-methylphenyl)dodecyl]phenyl]dodecyl]phenyl]dodecyl]-3-methylaniline
CID 22919074
4-[1-(4-hydroxy-3,5-dimethylphenyl)octyl]-2,6-dimethylphenol
CID 135345606
4-[1-[4-[1-[4-[1-(4-aminophenyl)decyl]phenyl]pentyl]phenyl]decyl]aniline
CID 22919999
4-[1-[4-[1-[4-[1-(4-aminophenyl)pentyl]phenyl]decyl]phenyl]pentyl]aniline
CID 22920190
1-(4-fluoro-3-methylphenyl)undecylhydrazine
CID 105204213
4-[1-[4-[1-[4-[1-(4-aminophenyl)propyl]phenyl]decyl]phenyl]propyl]aniline
CID 22919612

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-amino-3-methylphenyl)hexyl]-2-methylaniline?
The IUPAC name of 4-[1-(4-amino-3-methylphenyl)hexyl]-2-methylaniline (CID 174948270) is 4-[1-(4-amino-3-methylphenyl)hexyl]-2-methylaniline.
What is the SMILES notation for 4-[1-(4-amino-3-methylphenyl)hexyl]-2-methylaniline?
The canonical SMILES for 4-[1-(4-amino-3-methylphenyl)hexyl]-2-methylaniline is CCCCCC(c1ccc(N)c(C)c1)c1ccc(N)c(C)c1.
What is the InChIKey of 4-[1-(4-amino-3-methylphenyl)hexyl]-2-methylaniline?
The InChIKey is PTNFSWHYYXYQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2/c1-4-5-6-7-18(16-8-10-19(21)14(2)12-16)17-9-11-20(22)15(3)13-17/h8-13,18H,4-7,21-22H2,1-3H3.
What are the key properties of 4-[1-(4-amino-3-methylphenyl)hexyl]-2-methylaniline?
4-[1-(4-amino-3-methylphenyl)hexyl]-2-methylaniline has a molecular weight of 296.46 g/mol, XLogP of 5.18, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-amino-3-methylphenyl)hexyl]-2-methylaniline is sourced from PubChem (CID 174948270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).