2-[2-(4-aminophenyl)propyl]aniline

C15H18N2 — CID 19370735

IUPAC2-[2-(4-aminophenyl)propyl]aniline
SMILESCC(Cc1ccccc1N)c1ccc(N)cc1
InChIInChI=1S/C15H18N2/c1-11(12-6-8-14(16)9-7-12)10-13-4-2-3-5-15(13)17/h2-9,11H,10,16-17H2,1H3
InChIKeyZWUBBRIVVPWZOB-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.20
Rot. Bonds3

About 2-[2-(4-aminophenyl)propyl]aniline

2-[2-(4-aminophenyl)propyl]aniline (PubChem CID 19370735) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-[2-(4-aminophenyl)propyl]aniline.

Molecular Properties

Compound Name2-[2-(4-aminophenyl)propyl]aniline
PubChem CID19370735
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name2-[2-(4-aminophenyl)propyl]aniline
SMILESCC(Cc1ccccc1N)c1ccc(N)cc1
InChIInChI=1S/C15H18N2/c1-11(12-6-8-14(16)9-7-12)10-13-4-2-3-5-15(13)17/h2-9,11H,10,16-17H2,1H3
InChIKeyZWUBBRIVVPWZOB-UHFFFAOYSA-N
XLogP3.20
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-aminophenyl)propyl]aniline?
The IUPAC name of 2-[2-(4-aminophenyl)propyl]aniline (CID 19370735) is 2-[2-(4-aminophenyl)propyl]aniline.
What is the SMILES notation for 2-[2-(4-aminophenyl)propyl]aniline?
The canonical SMILES for 2-[2-(4-aminophenyl)propyl]aniline is CC(Cc1ccccc1N)c1ccc(N)cc1.
What is the InChIKey of 2-[2-(4-aminophenyl)propyl]aniline?
The InChIKey is ZWUBBRIVVPWZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-11(12-6-8-14(16)9-7-12)10-13-4-2-3-5-15(13)17/h2-9,11H,10,16-17H2,1H3.
What are the key properties of 2-[2-(4-aminophenyl)propyl]aniline?
2-[2-(4-aminophenyl)propyl]aniline has a molecular weight of 226.32 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-aminophenyl)propyl]aniline is sourced from PubChem (CID 19370735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).