2-(3,4-diaminophenyl)ethanol;2-methyl-4-propylpyridine

C17H25N3O — CID 142016400

IUPAC2-(3,4-diaminophenyl)ethanol;2-methyl-4-propylpyridine
SMILESCCCc1ccnc(C)c1.Nc1ccc(CCO)cc1N
InChIInChI=1S/C9H13N.C8H12N2O/c1-3-4-9-5-6-10-8(2)7-9;9-7-2-1-6(3-4-11)5-8(7)10/h5-7H,3-4H2,1-2H3;1-2,5,11H,3-4,9-10H2
InChIKeyFNVDCSCCTGONID-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.73
Rot. Bonds4

About 2-(3,4-diaminophenyl)ethanol;2-methyl-4-propylpyridine

2-(3,4-diaminophenyl)ethanol;2-methyl-4-propylpyridine (PubChem CID 142016400) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-(3,4-diaminophenyl)ethanol;2-methyl-4-propylpyridine.

Molecular Properties

Compound Name2-(3,4-diaminophenyl)ethanol;2-methyl-4-propylpyridine
PubChem CID142016400
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-(3,4-diaminophenyl)ethanol;2-methyl-4-propylpyridine
SMILESCCCc1ccnc(C)c1.Nc1ccc(CCO)cc1N
InChIInChI=1S/C9H13N.C8H12N2O/c1-3-4-9-5-6-10-8(2)7-9;9-7-2-1-6(3-4-11)5-8(7)10/h5-7H,3-4H2,1-2H3;1-2,5,11H,3-4,9-10H2
InChIKeyFNVDCSCCTGONID-UHFFFAOYSA-N
XLogP2.73
TPSA85.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(3,4-diaminophenyl)ethanol;2-methyl-4-propylpyridine?
The IUPAC name of 2-(3,4-diaminophenyl)ethanol;2-methyl-4-propylpyridine (CID 142016400) is 2-(3,4-diaminophenyl)ethanol;2-methyl-4-propylpyridine.
What is the SMILES notation for 2-(3,4-diaminophenyl)ethanol;2-methyl-4-propylpyridine?
The canonical SMILES for 2-(3,4-diaminophenyl)ethanol;2-methyl-4-propylpyridine is CCCc1ccnc(C)c1.Nc1ccc(CCO)cc1N.
What is the InChIKey of 2-(3,4-diaminophenyl)ethanol;2-methyl-4-propylpyridine?
The InChIKey is FNVDCSCCTGONID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.C8H12N2O/c1-3-4-9-5-6-10-8(2)7-9;9-7-2-1-6(3-4-11)5-8(7)10/h5-7H,3-4H2,1-2H3;1-2,5,11H,3-4,9-10H2.
What are the key properties of 2-(3,4-diaminophenyl)ethanol;2-methyl-4-propylpyridine?
2-(3,4-diaminophenyl)ethanol;2-methyl-4-propylpyridine has a molecular weight of 287.41 g/mol, XLogP of 2.73, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-diaminophenyl)ethanol;2-methyl-4-propylpyridine is sourced from PubChem (CID 142016400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).