1-(benzylamino)-3-(2-methoxyethoxy)propan-2-ol

C13H21NO3 — CID 106989015

IUPAC1-(benzylamino)-3-(2-methoxyethoxy)propan-2-ol
SMILESCOCCOCC(O)CNCc1ccccc1
InChIInChI=1S/C13H21NO3/c1-16-7-8-17-11-13(15)10-14-9-12-5-3-2-4-6-12/h2-6,13-15H,7-11H2,1H3
InChIKeyNMCXJSFSFNCOFO-UHFFFAOYSA-N
MW239.31 g/mol
LogP0.80
Rot. Bonds9

About 1-(benzylamino)-3-(2-methoxyethoxy)propan-2-ol

1-(benzylamino)-3-(2-methoxyethoxy)propan-2-ol (PubChem CID 106989015) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 1-(benzylamino)-3-(2-methoxyethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(benzylamino)-3-(2-methoxyethoxy)propan-2-ol
PubChem CID106989015
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name1-(benzylamino)-3-(2-methoxyethoxy)propan-2-ol
SMILESCOCCOCC(O)CNCc1ccccc1
InChIInChI=1S/C13H21NO3/c1-16-7-8-17-11-13(15)10-14-9-12-5-3-2-4-6-12/h2-6,13-15H,7-11H2,1H3
InChIKeyNMCXJSFSFNCOFO-UHFFFAOYSA-N
XLogP0.80
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 50.80
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

(2S)-1-(benzylamino)-3-phenylmethoxypropan-2-ol
CID 10707267
1-(2-methoxyethoxy)-3-[(4-methylsulfonylphenyl)methylamino]propan-2-ol
CID 106989780
1-(benzylamino)-3-[3-[3-(benzylamino)-2-hydroxypropoxy]-2,2-dimethylpropoxy]propan-2-ol
CID 42614671
1-[(4-methoxyphenyl)methylamino]-3-phenylmethoxypropan-2-ol
CID 170992001
1-(2-methoxyethoxy)-3-(3-phenoxypropylamino)propan-2-ol
CID 106989841
(2S)-1-(benzylamino)-3-prop-2-enoxypropan-2-ol
CID 34178559
1-[(4-methylphenyl)methylamino]-3-phenylmethoxypropan-2-ol
CID 60632327
(2S)-1-(benzylamino)-3-(2-ethoxyphenoxy)propan-2-ol
CID 39424747
1-(2-ethoxyethoxy)-3-[(4-methylphenyl)methylamino]propan-2-ol
CID 60632375
1-(2-ethoxyethoxy)-3-[(3-methoxyphenyl)methylamino]propan-2-ol
CID 60632288
1-butoxy-3-[[3-[[(3-butoxy-2-hydroxypropyl)amino]methyl]phenyl]methylamino]propan-2-ol
CID 101292349
1-(2-methoxyethoxy)-3-[2-(2-methylphenyl)ethylamino]propan-2-ol
CID 106990151

Frequently Asked Questions

What is the IUPAC name of 1-(benzylamino)-3-(2-methoxyethoxy)propan-2-ol?
The IUPAC name of 1-(benzylamino)-3-(2-methoxyethoxy)propan-2-ol (CID 106989015) is 1-(benzylamino)-3-(2-methoxyethoxy)propan-2-ol.
What is the SMILES notation for 1-(benzylamino)-3-(2-methoxyethoxy)propan-2-ol?
The canonical SMILES for 1-(benzylamino)-3-(2-methoxyethoxy)propan-2-ol is COCCOCC(O)CNCc1ccccc1.
What is the InChIKey of 1-(benzylamino)-3-(2-methoxyethoxy)propan-2-ol?
The InChIKey is NMCXJSFSFNCOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-16-7-8-17-11-13(15)10-14-9-12-5-3-2-4-6-12/h2-6,13-15H,7-11H2,1H3.
What are the key properties of 1-(benzylamino)-3-(2-methoxyethoxy)propan-2-ol?
1-(benzylamino)-3-(2-methoxyethoxy)propan-2-ol has a molecular weight of 239.31 g/mol, XLogP of 0.80, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzylamino)-3-(2-methoxyethoxy)propan-2-ol is sourced from PubChem (CID 106989015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).