2-amino-3,6-dipropylphenol

C12H19NO — CID 134347282

IUPAC2-amino-3,6-dipropylphenol
SMILESCCCc1ccc(CCC)c(O)c1N
InChIInChI=1S/C12H19NO/c1-3-5-9-7-8-10(6-4-2)12(14)11(9)13/h7-8,14H,3-6,13H2,1-2H3
InChIKeyBZPKMFRULMBDSI-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.88
Rot. Bonds4

About 2-amino-3,6-dipropylphenol

2-amino-3,6-dipropylphenol (PubChem CID 134347282) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-amino-3,6-dipropylphenol.

Molecular Properties

Compound Name2-amino-3,6-dipropylphenol
PubChem CID134347282
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-amino-3,6-dipropylphenol
SMILESCCCc1ccc(CCC)c(O)c1N
InChIInChI=1S/C12H19NO/c1-3-5-9-7-8-10(6-4-2)12(14)11(9)13/h7-8,14H,3-6,13H2,1-2H3
InChIKeyBZPKMFRULMBDSI-UHFFFAOYSA-N
XLogP2.88
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-hydroxy-4-propylbenzoic acid
CID 12532264
2,6-dihydroxy-3-propylbenzoic acid
CID 67658629
azane;3,4-dipropylbenzene-1,2-diamine
CID 22352094
2-[(1S)-1-aminoethyl]-6-propylphenol
CID 130625361
7-propyl-1,2,3,4-tetrahydroquinolin-8-ol
CID 119085826
2-diazenyl-4-propylbenzene-1,3-diol
CID 158015284
N-(2-amino-3-hydroxy-4-nonylphenyl)propanamide
CID 140570611
phosphoric acid;3-propylbenzene-1,2-diol
CID 174603816
2-amino-6-ethyl-3-methylsulfanylphenol
CID 150636758
7-propylquinolin-8-ol
CID 11604513
6-propylisoquinolin-5-ol
CID 45117044
2,3-difluoro-4-propylphenol
CID 14495704

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,6-dipropylphenol?
The IUPAC name of 2-amino-3,6-dipropylphenol (CID 134347282) is 2-amino-3,6-dipropylphenol.
What is the SMILES notation for 2-amino-3,6-dipropylphenol?
The canonical SMILES for 2-amino-3,6-dipropylphenol is CCCc1ccc(CCC)c(O)c1N.
What is the InChIKey of 2-amino-3,6-dipropylphenol?
The InChIKey is BZPKMFRULMBDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-3-5-9-7-8-10(6-4-2)12(14)11(9)13/h7-8,14H,3-6,13H2,1-2H3.
What are the key properties of 2-amino-3,6-dipropylphenol?
2-amino-3,6-dipropylphenol has a molecular weight of 193.29 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,6-dipropylphenol is sourced from PubChem (CID 134347282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).