4-[[(4-aminophenyl)methylamino]methyl]aniline

C14H17N3 — CID 12045161

IUPAC4-[[(4-aminophenyl)methylamino]methyl]aniline
SMILESNc1ccc(CNCc2ccc(N)cc2)cc1
InChIInChI=1S/C14H17N3/c15-13-5-1-11(2-6-13)9-17-10-12-3-7-14(16)8-4-12/h1-8,17H,9-10,15-16H2
InChIKeyWQYIKPNLSQLBPT-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.14
Rot. Bonds4

About 4-[[(4-aminophenyl)methylamino]methyl]aniline

4-[[(4-aminophenyl)methylamino]methyl]aniline (PubChem CID 12045161) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-[[(4-aminophenyl)methylamino]methyl]aniline.

Molecular Properties

Compound Name4-[[(4-aminophenyl)methylamino]methyl]aniline
PubChem CID12045161
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name4-[[(4-aminophenyl)methylamino]methyl]aniline
SMILESNc1ccc(CNCc2ccc(N)cc2)cc1
InChIInChI=1S/C14H17N3/c15-13-5-1-11(2-6-13)9-17-10-12-3-7-14(16)8-4-12/h1-8,17H,9-10,15-16H2
InChIKeyWQYIKPNLSQLBPT-UHFFFAOYSA-N
XLogP2.14
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[(4-aminophenyl)methylamino]methyl]aniline?
The IUPAC name of 4-[[(4-aminophenyl)methylamino]methyl]aniline (CID 12045161) is 4-[[(4-aminophenyl)methylamino]methyl]aniline.
What is the SMILES notation for 4-[[(4-aminophenyl)methylamino]methyl]aniline?
The canonical SMILES for 4-[[(4-aminophenyl)methylamino]methyl]aniline is Nc1ccc(CNCc2ccc(N)cc2)cc1.
What is the InChIKey of 4-[[(4-aminophenyl)methylamino]methyl]aniline?
The InChIKey is WQYIKPNLSQLBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c15-13-5-1-11(2-6-13)9-17-10-12-3-7-14(16)8-4-12/h1-8,17H,9-10,15-16H2.
What are the key properties of 4-[[(4-aminophenyl)methylamino]methyl]aniline?
4-[[(4-aminophenyl)methylamino]methyl]aniline has a molecular weight of 227.31 g/mol, XLogP of 2.14, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-aminophenyl)methylamino]methyl]aniline is sourced from PubChem (CID 12045161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).