4-(4-amino-3-methylphenyl)-2-methylaniline;formaldehyde

C15H18N2O — CID 165129640

IUPAC4-(4-amino-3-methylphenyl)-2-methylaniline;formaldehyde
SMILESC=O.Cc1cc(-c2ccc(N)c(C)c2)ccc1N
InChIInChI=1S/C14H16N2.CH2O/c1-9-7-11(3-5-13(9)15)12-4-6-14(16)10(2)8-12;1-2/h3-8H,15-16H2,1-2H3;1H2
InChIKeyHKJPBHHFPVMIII-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.95
Rot. Bonds1

About 4-(4-amino-3-methylphenyl)-2-methylaniline;formaldehyde

4-(4-amino-3-methylphenyl)-2-methylaniline;formaldehyde (PubChem CID 165129640) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-(4-amino-3-methylphenyl)-2-methylaniline;formaldehyde.

Molecular Properties

Compound Name4-(4-amino-3-methylphenyl)-2-methylaniline;formaldehyde
PubChem CID165129640
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name4-(4-amino-3-methylphenyl)-2-methylaniline;formaldehyde
SMILESC=O.Cc1cc(-c2ccc(N)c(C)c2)ccc1N
InChIInChI=1S/C14H16N2.CH2O/c1-9-7-11(3-5-13(9)15)12-4-6-14(16)10(2)8-12;1-2/h3-8H,15-16H2,1-2H3;1H2
InChIKeyHKJPBHHFPVMIII-UHFFFAOYSA-N
XLogP2.95
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3-methylphenyl)-2-methylaniline;formaldehyde?
The IUPAC name of 4-(4-amino-3-methylphenyl)-2-methylaniline;formaldehyde (CID 165129640) is 4-(4-amino-3-methylphenyl)-2-methylaniline;formaldehyde.
What is the SMILES notation for 4-(4-amino-3-methylphenyl)-2-methylaniline;formaldehyde?
The canonical SMILES for 4-(4-amino-3-methylphenyl)-2-methylaniline;formaldehyde is C=O.Cc1cc(-c2ccc(N)c(C)c2)ccc1N.
What is the InChIKey of 4-(4-amino-3-methylphenyl)-2-methylaniline;formaldehyde?
The InChIKey is HKJPBHHFPVMIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2.CH2O/c1-9-7-11(3-5-13(9)15)12-4-6-14(16)10(2)8-12;1-2/h3-8H,15-16H2,1-2H3;1H2.
What are the key properties of 4-(4-amino-3-methylphenyl)-2-methylaniline;formaldehyde?
4-(4-amino-3-methylphenyl)-2-methylaniline;formaldehyde has a molecular weight of 242.32 g/mol, XLogP of 2.95, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3-methylphenyl)-2-methylaniline;formaldehyde is sourced from PubChem (CID 165129640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).