1-[2-(propylaminomethyl)phenoxy]propan-2-ol

C13H21NO2 — CID 60881781

IUPAC1-[2-(propylaminomethyl)phenoxy]propan-2-ol
SMILESCCCNCc1ccccc1OCC(C)O
InChIInChI=1S/C13H21NO2/c1-3-8-14-9-12-6-4-5-7-13(12)16-10-11(2)15/h4-7,11,14-15H,3,8-10H2,1-2H3
InChIKeyCPBQAKVBILSJRR-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.95
Rot. Bonds7

About 1-[2-(propylaminomethyl)phenoxy]propan-2-ol

1-[2-(propylaminomethyl)phenoxy]propan-2-ol (PubChem CID 60881781) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-[2-(propylaminomethyl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[2-(propylaminomethyl)phenoxy]propan-2-ol
PubChem CID60881781
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-[2-(propylaminomethyl)phenoxy]propan-2-ol
SMILESCCCNCc1ccccc1OCC(C)O
InChIInChI=1S/C13H21NO2/c1-3-8-14-9-12-6-4-5-7-13(12)16-10-11(2)15/h4-7,11,14-15H,3,8-10H2,1-2H3
InChIKeyCPBQAKVBILSJRR-UHFFFAOYSA-N
XLogP1.95
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-2-[2-(propylaminomethyl)phenoxy]ethanol
CID 60881782
N-[[2-(2-methylpropoxy)phenyl]methyl]butan-1-amine
CID 54797416
1-[2-[(2-ethoxyphenyl)methylamino]ethylamino]propan-2-ol;dihydrochloride
CID 2967945
N-[[2-(2-methylpentoxy)phenyl]methyl]ethanamine
CID 62265523
1-(2-octylphenoxy)propan-2-ol
CID 142740915
1-[(2-heptoxyphenyl)methylamino]propan-2-ol
CID 54849266
1-[2-(2-methylbutyl)phenoxy]propan-2-ol
CID 59277976
N-[[2-(3-ethoxypropoxy)phenyl]methyl]propan-1-amine
CID 65176507
1-[[2-(propylaminomethyl)phenoxy]methyl]cyclopentan-1-ol
CID 65210710
1-[2-(aminomethyl)phenoxy]propan-2-ol;hydrochloride
CID 54594731
N,2-dimethyl-N-[2-[2-(propylaminomethyl)phenoxy]ethyl]propan-1-amine
CID 62420921
N-[[2-[(2-ethylphenoxy)methyl]phenyl]methyl]propan-1-amine
CID 63496111

Frequently Asked Questions

What is the IUPAC name of 1-[2-(propylaminomethyl)phenoxy]propan-2-ol?
The IUPAC name of 1-[2-(propylaminomethyl)phenoxy]propan-2-ol (CID 60881781) is 1-[2-(propylaminomethyl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-[2-(propylaminomethyl)phenoxy]propan-2-ol?
The canonical SMILES for 1-[2-(propylaminomethyl)phenoxy]propan-2-ol is CCCNCc1ccccc1OCC(C)O.
What is the InChIKey of 1-[2-(propylaminomethyl)phenoxy]propan-2-ol?
The InChIKey is CPBQAKVBILSJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-3-8-14-9-12-6-4-5-7-13(12)16-10-11(2)15/h4-7,11,14-15H,3,8-10H2,1-2H3.
What are the key properties of 1-[2-(propylaminomethyl)phenoxy]propan-2-ol?
1-[2-(propylaminomethyl)phenoxy]propan-2-ol has a molecular weight of 223.32 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(propylaminomethyl)phenoxy]propan-2-ol is sourced from PubChem (CID 60881781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).