1-(2-aminophenyl)propane-1,3-diamine

C9H15N3 — CID 70282221

IUPAC1-(2-aminophenyl)propane-1,3-diamine
SMILESNCCC(N)c1ccccc1N
InChIInChI=1S/C9H15N3/c10-6-5-9(12)7-3-1-2-4-8(7)11/h1-4,9H,5-6,10-12H2
InChIKeyUAUBXBKGESIIQM-UHFFFAOYSA-N
MW165.24 g/mol
LogP0.62
Rot. Bonds3

About 1-(2-aminophenyl)propane-1,3-diamine

1-(2-aminophenyl)propane-1,3-diamine (PubChem CID 70282221) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-(2-aminophenyl)propane-1,3-diamine.

Molecular Properties

Compound Name1-(2-aminophenyl)propane-1,3-diamine
PubChem CID70282221
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name1-(2-aminophenyl)propane-1,3-diamine
SMILESNCCC(N)c1ccccc1N
InChIInChI=1S/C9H15N3/c10-6-5-9(12)7-3-1-2-4-8(7)11/h1-4,9H,5-6,10-12H2
InChIKeyUAUBXBKGESIIQM-UHFFFAOYSA-N
XLogP0.62
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(1S)-1,3-diaminopropyl]phenol
CID 130872287
4-amino-4-(2-aminophenyl)butanoic acid
CID 55297082
1-[2-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 13034547
(1S)-1-(2-methoxyphenyl)propane-1,3-diamine
CID 171219974
2-[(1R)-1,3-diaminopropyl]benzonitrile
CID 131014593
2-[(1S)-1,3-diaminopropyl]benzonitrile
CID 130814936
2-[(1S)-1,3-diaminopropyl]benzoic acid
CID 171220788
(1S)-1-(2,3-difluorophenyl)propane-1,3-diamine
CID 130986814
(1S)-1-(2-tert-butylsulfanylphenyl)propane-1,3-diamine
CID 171234486
2-[amino(bromo)methyl]aniline
CID 174846455
benzene-1,2-diamine;ethane-1,2-diamine
CID 20510389
(1R)-1-(2,3-dimethylphenyl)propane-1,3-diamine
CID 130869283

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)propane-1,3-diamine?
The IUPAC name of 1-(2-aminophenyl)propane-1,3-diamine (CID 70282221) is 1-(2-aminophenyl)propane-1,3-diamine.
What is the SMILES notation for 1-(2-aminophenyl)propane-1,3-diamine?
The canonical SMILES for 1-(2-aminophenyl)propane-1,3-diamine is NCCC(N)c1ccccc1N.
What is the InChIKey of 1-(2-aminophenyl)propane-1,3-diamine?
The InChIKey is UAUBXBKGESIIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c10-6-5-9(12)7-3-1-2-4-8(7)11/h1-4,9H,5-6,10-12H2.
What are the key properties of 1-(2-aminophenyl)propane-1,3-diamine?
1-(2-aminophenyl)propane-1,3-diamine has a molecular weight of 165.24 g/mol, XLogP of 0.62, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)propane-1,3-diamine is sourced from PubChem (CID 70282221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).