3-(propylaminomethyl)phenol

C10H15NO — CID 10725714

IUPAC3-(propylaminomethyl)phenol
SMILESCCCNCc1cccc(O)c1
InChIInChI=1S/C10H15NO/c1-2-6-11-8-9-4-3-5-10(12)7-9/h3-5,7,11-12H,2,6,8H2,1H3
InChIKeyCEMSAUZILJQSKE-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.89
Rot. Bonds4

About 3-(propylaminomethyl)phenol

3-(propylaminomethyl)phenol (PubChem CID 10725714) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 3-(propylaminomethyl)phenol.

Molecular Properties

Compound Name3-(propylaminomethyl)phenol
PubChem CID10725714
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name3-(propylaminomethyl)phenol
SMILESCCCNCc1cccc(O)c1
InChIInChI=1S/C10H15NO/c1-2-6-11-8-9-4-3-5-10(12)7-9/h3-5,7,11-12H,2,6,8H2,1H3
InChIKeyCEMSAUZILJQSKE-UHFFFAOYSA-N
XLogP1.89
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(ethylamino)ethylamino]methyl]phenol
CID 83962894
3-[(3-aminopentylamino)methyl]phenol
CID 163670713
3-[(4-methylpentylamino)methyl]phenol
CID 60744251
3-[(2-methylbutylamino)methyl]phenol
CID 62694321
3-[(2-methylpentylamino)methyl]phenol
CID 115905193
3-[(4-methylsulfanylbutylamino)methyl]phenol
CID 115639371
3-[(2,2-dimethylpropylamino)methyl]phenol
CID 61168386
3-[[2-methyl-6-(propylaminomethyl)phenoxy]methyl]phenol
CID 115952789
3-[[(2-ethyl-2-hydroxybutyl)amino]methyl]phenol
CID 62316398
3-[[(5-hydroxy-5-methylhexyl)amino]methyl]phenol
CID 23439773
3-[[2-(2-methylphenyl)ethylamino]methyl]phenol
CID 78910580
3-[[4-fluoro-2-(propylaminomethyl)phenoxy]methyl]phenol
CID 107695916

Frequently Asked Questions

What is the IUPAC name of 3-(propylaminomethyl)phenol?
The IUPAC name of 3-(propylaminomethyl)phenol (CID 10725714) is 3-(propylaminomethyl)phenol.
What is the SMILES notation for 3-(propylaminomethyl)phenol?
The canonical SMILES for 3-(propylaminomethyl)phenol is CCCNCc1cccc(O)c1.
What is the InChIKey of 3-(propylaminomethyl)phenol?
The InChIKey is CEMSAUZILJQSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-2-6-11-8-9-4-3-5-10(12)7-9/h3-5,7,11-12H,2,6,8H2,1H3.
What are the key properties of 3-(propylaminomethyl)phenol?
3-(propylaminomethyl)phenol has a molecular weight of 165.24 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propylaminomethyl)phenol is sourced from PubChem (CID 10725714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).