4-[3-amino-3-(4-aminophenyl)propyl]aniline

C15H19N3 — CID 22432

IUPAC4-[3-amino-3-(4-aminophenyl)propyl]aniline
SMILESNc1ccc(CCC(N)c2ccc(N)cc2)cc1
InChIInChI=1S/C15H19N3/c16-13-6-1-11(2-7-13)3-10-15(18)12-4-8-14(17)9-5-12/h1-2,4-9,15H,3,10,16-18H2
InChIKeyQAONFKCWKTUBRJ-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.48
Rot. Bonds4

About 4-[3-amino-3-(4-aminophenyl)propyl]aniline

4-[3-amino-3-(4-aminophenyl)propyl]aniline (PubChem CID 22432) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 4-[3-amino-3-(4-aminophenyl)propyl]aniline.

Molecular Properties

Compound Name4-[3-amino-3-(4-aminophenyl)propyl]aniline
PubChem CID22432
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name4-[3-amino-3-(4-aminophenyl)propyl]aniline
SMILESNc1ccc(CCC(N)c2ccc(N)cc2)cc1
InChIInChI=1S/C15H19N3/c16-13-6-1-11(2-7-13)3-10-15(18)12-4-8-14(17)9-5-12/h1-2,4-9,15H,3,10,16-18H2
InChIKeyQAONFKCWKTUBRJ-UHFFFAOYSA-N
XLogP2.48
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.48
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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Related Compounds

(3R)-3-amino-3-(4-aminophenyl)propan-1-ol
CID 25417365
4-[(1S)-1-aminobutyl]aniline;dihydrochloride
CID 53484663
3-(4-methoxyphenyl)-1-(4-propylphenyl)propan-1-amine
CID 43099758
(2R)-4-(4-propan-2-ylphenyl)butan-2-amine
CID 40999647
4-(1-aminooctyl)aniline
CID 137458153
4-[2-[4-[1-[4-[2-(4-aminophenyl)ethyl]phenyl]butyl]phenyl]ethyl]aniline
CID 139903306
1-(4-ethoxyphenyl)-3-(4-methylphenyl)propan-1-amine
CID 105140871
4-[4-[3-[4-(4-aminophenoxy)phenyl]butyl]phenoxy]aniline
CID 18363730
4-[2-[4-[3-[4-[2-(4-aminophenyl)ethyl]phenyl]pentan-2-yl]phenyl]ethyl]aniline
CID 139903287
4-[1-[4-[14-[4-[1-(4-aminophenyl)ethyl]phenyl]tetradecyl]phenyl]ethyl]aniline
CID 22920015
4-[1-[4-[18-[4-[1-(4-aminophenyl)ethyl]phenyl]octadecyl]phenyl]ethyl]aniline
CID 22919409
3-propoxy-1-(4-propylphenyl)propan-1-amine
CID 105144351

Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-3-(4-aminophenyl)propyl]aniline?
The IUPAC name of 4-[3-amino-3-(4-aminophenyl)propyl]aniline (CID 22432) is 4-[3-amino-3-(4-aminophenyl)propyl]aniline.
What is the SMILES notation for 4-[3-amino-3-(4-aminophenyl)propyl]aniline?
The canonical SMILES for 4-[3-amino-3-(4-aminophenyl)propyl]aniline is Nc1ccc(CCC(N)c2ccc(N)cc2)cc1.
What is the InChIKey of 4-[3-amino-3-(4-aminophenyl)propyl]aniline?
The InChIKey is QAONFKCWKTUBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c16-13-6-1-11(2-7-13)3-10-15(18)12-4-8-14(17)9-5-12/h1-2,4-9,15H,3,10,16-18H2.
What are the key properties of 4-[3-amino-3-(4-aminophenyl)propyl]aniline?
4-[3-amino-3-(4-aminophenyl)propyl]aniline has a molecular weight of 241.34 g/mol, XLogP of 2.48, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-amino-3-(4-aminophenyl)propyl]aniline is sourced from PubChem (CID 22432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).