4-(1,2-diaminopropyl)phenol

C9H14N2O — CID 24841393

IUPAC4-(1,2-diaminopropyl)phenol
SMILESCC(N)C(N)c1ccc(O)cc1
InChIInChI=1S/C9H14N2O/c1-6(10)9(11)7-2-4-8(12)5-3-7/h2-6,9,12H,10-11H2,1H3
InChIKeySCCYMEASWPLBOQ-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.74
Rot. Bonds2

About 4-(1,2-diaminopropyl)phenol

4-(1,2-diaminopropyl)phenol (PubChem CID 24841393) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 4-(1,2-diaminopropyl)phenol.

Molecular Properties

Compound Name4-(1,2-diaminopropyl)phenol
PubChem CID24841393
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name4-(1,2-diaminopropyl)phenol
SMILESCC(N)C(N)c1ccc(O)cc1
InChIInChI=1S/C9H14N2O/c1-6(10)9(11)7-2-4-8(12)5-3-7/h2-6,9,12H,10-11H2,1H3
InChIKeySCCYMEASWPLBOQ-UHFFFAOYSA-N
XLogP0.74
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1S)-1-amino-2-methylpropyl]phenol
CID 55278792
4-[(1R)-1-amino-2-hydroxypropyl]phenol
CID 130840642
4-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]phenol
CID 130975039
4-[(1R)-1-amino-2,2-difluoroethyl]phenol
CID 130707257
4-[(1R)-1-aminoethyl]phenol;hydrochloride
CID 127264624
4-[(1S,2S)-2-amino-1-hydroxypropyl]phenol;hydrochloride
CID 90673533
4-(1-amino-2-phenylpropyl)phenol;hydrochloride
CID 67712087
4-[(1R)-1-fluoroethyl]phenol
CID 124547590
1-(4-tert-butylphenyl)propane-1,2-diamine
CID 20546388
3-[(1S,2S)-1,2-diaminopropyl]phenol
CID 130820529
4-[1-(4-hydroxyphenyl)ethyl]phenol
CID 608116
methane;4-propan-2-ylphenol
CID 159328733

Frequently Asked Questions

What is the IUPAC name of 4-(1,2-diaminopropyl)phenol?
The IUPAC name of 4-(1,2-diaminopropyl)phenol (CID 24841393) is 4-(1,2-diaminopropyl)phenol.
What is the SMILES notation for 4-(1,2-diaminopropyl)phenol?
The canonical SMILES for 4-(1,2-diaminopropyl)phenol is CC(N)C(N)c1ccc(O)cc1.
What is the InChIKey of 4-(1,2-diaminopropyl)phenol?
The InChIKey is SCCYMEASWPLBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-6(10)9(11)7-2-4-8(12)5-3-7/h2-6,9,12H,10-11H2,1H3.
What are the key properties of 4-(1,2-diaminopropyl)phenol?
4-(1,2-diaminopropyl)phenol has a molecular weight of 166.22 g/mol, XLogP of 0.74, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-diaminopropyl)phenol is sourced from PubChem (CID 24841393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).