4-(1-aminopropyl)phenol

C9H13NO — CID 3020319

IUPAC4-(1-aminopropyl)phenol
SMILESCCC(N)c1ccc(O)cc1
InChIInChI=1S/C9H13NO/c1-2-9(10)7-3-5-8(11)6-4-7/h3-6,9,11H,2,10H2,1H3
InChIKeyWTQZYHPAVNTISM-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.80
Rot. Bonds2

About 4-(1-aminopropyl)phenol

4-(1-aminopropyl)phenol (PubChem CID 3020319) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 4-(1-aminopropyl)phenol.

Molecular Properties

Compound Name4-(1-aminopropyl)phenol
PubChem CID3020319
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name4-(1-aminopropyl)phenol
SMILESCCC(N)c1ccc(O)cc1
InChIInChI=1S/C9H13NO/c1-2-9(10)7-3-5-8(11)6-4-7/h3-6,9,11H,2,10H2,1H3
InChIKeyWTQZYHPAVNTISM-UHFFFAOYSA-N
XLogP1.80
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-aminopropyl)phenol?
The IUPAC name of 4-(1-aminopropyl)phenol (CID 3020319) is 4-(1-aminopropyl)phenol.
What is the SMILES notation for 4-(1-aminopropyl)phenol?
The canonical SMILES for 4-(1-aminopropyl)phenol is CCC(N)c1ccc(O)cc1.
What is the InChIKey of 4-(1-aminopropyl)phenol?
The InChIKey is WTQZYHPAVNTISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-2-9(10)7-3-5-8(11)6-4-7/h3-6,9,11H,2,10H2,1H3.
What are the key properties of 4-(1-aminopropyl)phenol?
4-(1-aminopropyl)phenol has a molecular weight of 151.21 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminopropyl)phenol is sourced from PubChem (CID 3020319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).