4-(2-aminopropyl)-2,3,5-trimethylphenol

C12H19NO — CID 117111308

IUPAC4-(2-aminopropyl)-2,3,5-trimethylphenol
SMILESCc1cc(O)c(C)c(C)c1CC(C)N
InChIInChI=1S/C12H19NO/c1-7-5-12(14)10(4)9(3)11(7)6-8(2)13/h5,8,14H,6,13H2,1-4H3
InChIKeyPOYAEIQJRGVATM-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.21
Rot. Bonds2

About 4-(2-aminopropyl)-2,3,5-trimethylphenol

4-(2-aminopropyl)-2,3,5-trimethylphenol (PubChem CID 117111308) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-(2-aminopropyl)-2,3,5-trimethylphenol.

Molecular Properties

Compound Name4-(2-aminopropyl)-2,3,5-trimethylphenol
PubChem CID117111308
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name4-(2-aminopropyl)-2,3,5-trimethylphenol
SMILESCc1cc(O)c(C)c(C)c1CC(C)N
InChIInChI=1S/C12H19NO/c1-7-5-12(14)10(4)9(3)11(7)6-8(2)13/h5,8,14H,6,13H2,1-4H3
InChIKeyPOYAEIQJRGVATM-UHFFFAOYSA-N
XLogP2.21
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-aminopropyl)-2-chloro-3,5-dimethylphenol
CID 117304826
4-(2-aminopropyl)-3-chloro-5-methylbenzene-1,2-diol
CID 117307437
1-(3-bromo-4-fluoro-2,6-dimethylphenyl)propan-2-amine
CID 130980809
2-(2-aminopropyl)-4-bromo-3,6-dimethylphenol
CID 117398502
2-(2-aminopropyl)-4-chloro-3-methylphenol
CID 117288922
5-[(2R)-2-aminopropyl]-3-methylbenzene-1,2-diol
CID 89349116
3-(4-hydroxy-2,3,6-trimethylphenyl)propanal
CID 117117751
2-amino-3-(3-bromo-4-hydroxy-2,6-dimethylphenyl)propanoic acid
CID 117464878
4-(4-amino-2-methylpentyl)-3,5-dimethylphenol
CID 83923476
4-(2-aminopropyl)-5-fluoro-2-methylphenol
CID 117279524
2-(2-aminopropyl)-3-bromo-6-methylphenol
CID 117361743
5-(2-aminopropyl)-2-fluoro-3-methylphenol
CID 117279526

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropyl)-2,3,5-trimethylphenol?
The IUPAC name of 4-(2-aminopropyl)-2,3,5-trimethylphenol (CID 117111308) is 4-(2-aminopropyl)-2,3,5-trimethylphenol.
What is the SMILES notation for 4-(2-aminopropyl)-2,3,5-trimethylphenol?
The canonical SMILES for 4-(2-aminopropyl)-2,3,5-trimethylphenol is Cc1cc(O)c(C)c(C)c1CC(C)N.
What is the InChIKey of 4-(2-aminopropyl)-2,3,5-trimethylphenol?
The InChIKey is POYAEIQJRGVATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-7-5-12(14)10(4)9(3)11(7)6-8(2)13/h5,8,14H,6,13H2,1-4H3.
What are the key properties of 4-(2-aminopropyl)-2,3,5-trimethylphenol?
4-(2-aminopropyl)-2,3,5-trimethylphenol has a molecular weight of 193.29 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)-2,3,5-trimethylphenol is sourced from PubChem (CID 117111308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).