2-(3-aminopropyl)-4-(2-methylpropoxy)phenol

C13H21NO2 — CID 95423055

IUPAC2-(3-aminopropyl)-4-(2-methylpropoxy)phenol
SMILESCC(C)COc1ccc(O)c(CCCN)c1
InChIInChI=1S/C13H21NO2/c1-10(2)9-16-12-5-6-13(15)11(8-12)4-3-7-14/h5-6,8,10,15H,3-4,7,9,14H2,1-2H3
InChIKeyRVWLTGUNWPNURH-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.32
Rot. Bonds6

About 2-(3-aminopropyl)-4-(2-methylpropoxy)phenol

2-(3-aminopropyl)-4-(2-methylpropoxy)phenol (PubChem CID 95423055) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(3-aminopropyl)-4-(2-methylpropoxy)phenol.

Molecular Properties

Compound Name2-(3-aminopropyl)-4-(2-methylpropoxy)phenol
PubChem CID95423055
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-(3-aminopropyl)-4-(2-methylpropoxy)phenol
SMILESCC(C)COc1ccc(O)c(CCCN)c1
InChIInChI=1S/C13H21NO2/c1-10(2)9-16-12-5-6-13(15)11(8-12)4-3-7-14/h5-6,8,10,15H,3-4,7,9,14H2,1-2H3
InChIKeyRVWLTGUNWPNURH-UHFFFAOYSA-N
XLogP2.32
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)-4-(2-methylpropoxy)phenol?
The IUPAC name of 2-(3-aminopropyl)-4-(2-methylpropoxy)phenol (CID 95423055) is 2-(3-aminopropyl)-4-(2-methylpropoxy)phenol.
What is the SMILES notation for 2-(3-aminopropyl)-4-(2-methylpropoxy)phenol?
The canonical SMILES for 2-(3-aminopropyl)-4-(2-methylpropoxy)phenol is CC(C)COc1ccc(O)c(CCCN)c1.
What is the InChIKey of 2-(3-aminopropyl)-4-(2-methylpropoxy)phenol?
The InChIKey is RVWLTGUNWPNURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10(2)9-16-12-5-6-13(15)11(8-12)4-3-7-14/h5-6,8,10,15H,3-4,7,9,14H2,1-2H3.
What are the key properties of 2-(3-aminopropyl)-4-(2-methylpropoxy)phenol?
2-(3-aminopropyl)-4-(2-methylpropoxy)phenol has a molecular weight of 223.32 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)-4-(2-methylpropoxy)phenol is sourced from PubChem (CID 95423055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).