[3-[[2-(3-methoxypropoxy)ethylamino]methyl]phenyl]methanol

C14H23NO3 — CID 107230478

IUPAC[3-[[2-(3-methoxypropoxy)ethylamino]methyl]phenyl]methanol
SMILESCOCCCOCCNCc1cccc(CO)c1
InChIInChI=1S/C14H23NO3/c1-17-7-3-8-18-9-6-15-11-13-4-2-5-14(10-13)12-16/h2,4-5,10,15-16H,3,6-9,11-12H2,1H3
InChIKeyNJGULIYWRBXDEZ-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.32
Rot. Bonds10

About [3-[[2-(3-methoxypropoxy)ethylamino]methyl]phenyl]methanol

[3-[[2-(3-methoxypropoxy)ethylamino]methyl]phenyl]methanol (PubChem CID 107230478) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is [3-[[2-(3-methoxypropoxy)ethylamino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[[2-(3-methoxypropoxy)ethylamino]methyl]phenyl]methanol
PubChem CID107230478
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name[3-[[2-(3-methoxypropoxy)ethylamino]methyl]phenyl]methanol
SMILESCOCCCOCCNCc1cccc(CO)c1
InChIInChI=1S/C14H23NO3/c1-17-7-3-8-18-9-6-15-11-13-4-2-5-14(10-13)12-16/h2,4-5,10,15-16H,3,6-9,11-12H2,1H3
InChIKeyNJGULIYWRBXDEZ-UHFFFAOYSA-N
XLogP1.32
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[[3-(hydroxymethyl)phenyl]methylamino]ethoxy]ethanol
CID 107230613
N-[(3-bromophenyl)methyl]-2-(3-methoxypropoxy)ethanamine
CID 103178728
2-[[3-(hydroxymethyl)phenyl]methylamino]-N-(3-methoxypropyl)acetamide
CID 107230510
[4-[[3-(2-methoxyethoxy)propylamino]methyl]phenyl]methanol
CID 107230997
N-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(3-methoxypropoxy)ethanamine
CID 103179199
2-(3-methoxypropoxy)-N-(naphthalen-1-ylmethyl)ethanamine
CID 103178918
2-methoxy-N-[[3-(3-methoxypropylsulfanyl)phenyl]methyl]ethanamine
CID 66348144
2-[[3-(methoxymethyl)phenyl]methylamino]ethanol
CID 61004164
[3-[(3-ethylsulfonylpropylamino)methyl]phenyl]methanol
CID 107230636
[3-[(2-methoxyethylsulfamoylamino)methyl]phenyl]methanol
CID 114815669
[3-[(4-phenylbutylamino)methyl]phenyl]methanol
CID 107230381
2-methoxy-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride
CID 17295666

Frequently Asked Questions

What is the IUPAC name of [3-[[2-(3-methoxypropoxy)ethylamino]methyl]phenyl]methanol?
The IUPAC name of [3-[[2-(3-methoxypropoxy)ethylamino]methyl]phenyl]methanol (CID 107230478) is [3-[[2-(3-methoxypropoxy)ethylamino]methyl]phenyl]methanol.
What is the SMILES notation for [3-[[2-(3-methoxypropoxy)ethylamino]methyl]phenyl]methanol?
The canonical SMILES for [3-[[2-(3-methoxypropoxy)ethylamino]methyl]phenyl]methanol is COCCCOCCNCc1cccc(CO)c1.
What is the InChIKey of [3-[[2-(3-methoxypropoxy)ethylamino]methyl]phenyl]methanol?
The InChIKey is NJGULIYWRBXDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-17-7-3-8-18-9-6-15-11-13-4-2-5-14(10-13)12-16/h2,4-5,10,15-16H,3,6-9,11-12H2,1H3.
What are the key properties of [3-[[2-(3-methoxypropoxy)ethylamino]methyl]phenyl]methanol?
[3-[[2-(3-methoxypropoxy)ethylamino]methyl]phenyl]methanol has a molecular weight of 253.34 g/mol, XLogP of 1.32, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-(3-methoxypropoxy)ethylamino]methyl]phenyl]methanol is sourced from PubChem (CID 107230478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).