4-(3-Aminopropyl)phenol

C9H13NO — CID 4574248

IUPAC4-(3-aminopropyl)phenol
SMILESC1=CC(=CC=C1CCCN)O
InChIInChI=1S/C9H13NO/c10-7-1-2-8-3-5-9(11)6-4-8/h3-6,11H,1-2,7,10H2
InChIKeyAEMHLIHHQUOOGP-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.50
Rot. Bonds3

About 4-(3-Aminopropyl)phenol

4-(3-Aminopropyl)phenol (PubChem CID 4574248) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 4-(3-aminopropyl)phenol.

Molecular Properties

Compound Name4-(3-Aminopropyl)phenol
PubChem CID4574248
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name4-(3-aminopropyl)phenol
SMILESC1=CC(=CC=C1CCCN)O
InChIInChI=1S/C9H13NO/c10-7-1-2-8-3-5-9(11)6-4-8/h3-6,11H,1-2,7,10H2
InChIKeyAEMHLIHHQUOOGP-UHFFFAOYSA-N
XLogP1.50
TPSA46.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity97

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Dopamine
CID 681
L-Tyrosine
CID 6057
Synephrine
CID 7172
Tyramine
CID 5610
Octopamine
CID 4581
4-Nonylphenol
CID 1752
4-Ethylphenol
CID 31242
Dopamine Hydrochloride
CID 65340
4-n-Octylphenol
CID 15730
m-Tyramine
CID 11492
Hydroxyamfetamine
CID 3651
N-Methyltyramine
CID 9727

Frequently Asked Questions

What is the IUPAC name of 4-(3-Aminopropyl)phenol?
The IUPAC name of 4-(3-Aminopropyl)phenol (CID 4574248) is 4-(3-aminopropyl)phenol.
What is the SMILES notation for 4-(3-Aminopropyl)phenol?
The canonical SMILES for 4-(3-Aminopropyl)phenol is C1=CC(=CC=C1CCCN)O.
What is the InChIKey of 4-(3-Aminopropyl)phenol?
The InChIKey is AEMHLIHHQUOOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c10-7-1-2-8-3-5-9(11)6-4-8/h3-6,11H,1-2,7,10H2.
What are the key properties of 4-(3-Aminopropyl)phenol?
4-(3-Aminopropyl)phenol has a molecular weight of 151.21 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-Aminopropyl)phenol is sourced from PubChem (CID 4574248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).