3-[4-[1-(methylamino)ethyl]phenoxy]propan-1-ol

C12H19NO2 — CID 43285961

IUPAC3-[4-[1-(methylamino)ethyl]phenoxy]propan-1-ol
SMILESCNC(C)c1ccc(OCCCO)cc1
InChIInChI=1S/C12H19NO2/c1-10(13-2)11-4-6-12(7-5-11)15-9-3-8-14/h4-7,10,13-14H,3,8-9H2,1-2H3
InChIKeyMZBYCXREPUNSCN-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.73
Rot. Bonds6

About 3-[4-[1-(methylamino)ethyl]phenoxy]propan-1-ol

3-[4-[1-(methylamino)ethyl]phenoxy]propan-1-ol (PubChem CID 43285961) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-[4-[1-(methylamino)ethyl]phenoxy]propan-1-ol.

Molecular Properties

Compound Name3-[4-[1-(methylamino)ethyl]phenoxy]propan-1-ol
PubChem CID43285961
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name3-[4-[1-(methylamino)ethyl]phenoxy]propan-1-ol
SMILESCNC(C)c1ccc(OCCCO)cc1
InChIInChI=1S/C12H19NO2/c1-10(13-2)11-4-6-12(7-5-11)15-9-3-8-14/h4-7,10,13-14H,3,8-9H2,1-2H3
InChIKeyMZBYCXREPUNSCN-UHFFFAOYSA-N
XLogP1.73
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.73
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

N-methyl-1-[4-(2-phenoxyethoxy)phenyl]ethanamine
CID 43285217
4-[4-[1-(methylamino)ethyl]phenoxy]butanenitrile
CID 60880983
3-[[6-[1-(methylamino)ethyl]-3-pyridinyl]oxy]propan-1-ol
CID 83124087
N,N-dimethyl-3-[4-[1-(methylamino)ethyl]phenoxy]propanamide
CID 54879263
1-[3-[3-[4-[(1R)-1-(methylamino)ethyl]phenoxy]propoxy]propoxy]propan-2-one
CID 126671533
6-(4-propan-2-ylphenoxy)hexan-1-ol
CID 103801838
1-[4-(3-methoxy-3-methylbutoxy)phenyl]-N-methylethanamine
CID 103032686
6-[4-[1-(methylamino)propyl]phenoxy]hexan-1-ol
CID 107702416
5-[4-[(1S)-1-hydroxyethyl]phenoxy]pentan-1-ol
CID 78930532
5-[4-[(1R)-1-hydroxyethyl]phenoxy]pentan-1-ol
CID 63364105
2-[4-[4-[1-(methylamino)ethyl]phenoxy]phenyl]ethanol
CID 107709067
N-methyl-1-[4-(2-methylidenebutoxy)phenyl]ethanamine
CID 66043980

Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-(methylamino)ethyl]phenoxy]propan-1-ol?
The IUPAC name of 3-[4-[1-(methylamino)ethyl]phenoxy]propan-1-ol (CID 43285961) is 3-[4-[1-(methylamino)ethyl]phenoxy]propan-1-ol.
What is the SMILES notation for 3-[4-[1-(methylamino)ethyl]phenoxy]propan-1-ol?
The canonical SMILES for 3-[4-[1-(methylamino)ethyl]phenoxy]propan-1-ol is CNC(C)c1ccc(OCCCO)cc1.
What is the InChIKey of 3-[4-[1-(methylamino)ethyl]phenoxy]propan-1-ol?
The InChIKey is MZBYCXREPUNSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-10(13-2)11-4-6-12(7-5-11)15-9-3-8-14/h4-7,10,13-14H,3,8-9H2,1-2H3.
What are the key properties of 3-[4-[1-(methylamino)ethyl]phenoxy]propan-1-ol?
3-[4-[1-(methylamino)ethyl]phenoxy]propan-1-ol has a molecular weight of 209.29 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[1-(methylamino)ethyl]phenoxy]propan-1-ol is sourced from PubChem (CID 43285961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).