2-[4-(propylaminomethyl)phenoxy]ethanol

C12H19NO2 — CID 17213252

IUPAC2-[4-(propylaminomethyl)phenoxy]ethanol
SMILESCCCNCc1ccc(OCCO)cc1
InChIInChI=1S/C12H19NO2/c1-2-7-13-10-11-3-5-12(6-4-11)15-9-8-14/h3-6,13-14H,2,7-10H2,1H3
InChIKeyBSTNHJOMDOHIIV-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.56
Rot. Bonds7

About 2-[4-(propylaminomethyl)phenoxy]ethanol

2-[4-(propylaminomethyl)phenoxy]ethanol (PubChem CID 17213252) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-[4-(propylaminomethyl)phenoxy]ethanol.

Molecular Properties

Compound Name2-[4-(propylaminomethyl)phenoxy]ethanol
PubChem CID17213252
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-[4-(propylaminomethyl)phenoxy]ethanol
SMILESCCCNCc1ccc(OCCO)cc1
InChIInChI=1S/C12H19NO2/c1-2-7-13-10-11-3-5-12(6-4-11)15-9-8-14/h3-6,13-14H,2,7-10H2,1H3
InChIKeyBSTNHJOMDOHIIV-UHFFFAOYSA-N
XLogP1.56
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.56
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

2-[4-[(hexylamino)methyl]phenoxy]ethanol;hydrochloride
CID 17213255
2-[3-[(4-butoxyphenyl)methylamino]propoxy]ethanol
CID 103992724
2-[4-[(3-methylbutylamino)methyl]phenoxy]ethanol
CID 17210721
3-[4-(propylaminomethyl)phenoxy]propanamide
CID 43276993
N-[[4-(3,3,3-trifluoropropoxy)phenyl]methyl]propan-1-amine
CID 64553735
2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]ethanol
CID 79782983
4-[4-(propylaminomethyl)phenoxy]butanenitrile
CID 60878188
N-[[4-(2-butan-2-yloxyethoxy)phenyl]methyl]propan-1-amine
CID 62452923
N-[[4-[2-(3-methylbut-3-enoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 114470830
3-[(4-ethoxyphenyl)methylamino]propan-1-ol
CID 7991761
N-[(4-hexoxyphenyl)methyl]hexan-1-amine
CID 54807832
N-[[4-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]methyl]propan-1-amine
CID 116614951

Frequently Asked Questions

What is the IUPAC name of 2-[4-(propylaminomethyl)phenoxy]ethanol?
The IUPAC name of 2-[4-(propylaminomethyl)phenoxy]ethanol (CID 17213252) is 2-[4-(propylaminomethyl)phenoxy]ethanol.
What is the SMILES notation for 2-[4-(propylaminomethyl)phenoxy]ethanol?
The canonical SMILES for 2-[4-(propylaminomethyl)phenoxy]ethanol is CCCNCc1ccc(OCCO)cc1.
What is the InChIKey of 2-[4-(propylaminomethyl)phenoxy]ethanol?
The InChIKey is BSTNHJOMDOHIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-2-7-13-10-11-3-5-12(6-4-11)15-9-8-14/h3-6,13-14H,2,7-10H2,1H3.
What are the key properties of 2-[4-(propylaminomethyl)phenoxy]ethanol?
2-[4-(propylaminomethyl)phenoxy]ethanol has a molecular weight of 209.29 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(propylaminomethyl)phenoxy]ethanol is sourced from PubChem (CID 17213252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).