2-(3-methoxypropylamino)-2-phenylpropan-1-ol

C13H21NO2 — CID 115621374

IUPAC2-(3-methoxypropylamino)-2-phenylpropan-1-ol
SMILESCOCCCNC(C)(CO)c1ccccc1
InChIInChI=1S/C13H21NO2/c1-13(11-15,14-9-6-10-16-2)12-7-4-3-5-8-12/h3-5,7-8,14-15H,6,9-11H2,1-2H3
InChIKeyXPEIEIZVHMXDQO-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.52
Rot. Bonds7

About 2-(3-methoxypropylamino)-2-phenylpropan-1-ol

2-(3-methoxypropylamino)-2-phenylpropan-1-ol (PubChem CID 115621374) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(3-methoxypropylamino)-2-phenylpropan-1-ol.

Molecular Properties

Compound Name2-(3-methoxypropylamino)-2-phenylpropan-1-ol
PubChem CID115621374
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-(3-methoxypropylamino)-2-phenylpropan-1-ol
SMILESCOCCCNC(C)(CO)c1ccccc1
InChIInChI=1S/C13H21NO2/c1-13(11-15,14-9-6-10-16-2)12-7-4-3-5-8-12/h3-5,7-8,14-15H,6,9-11H2,1-2H3
InChIKeyXPEIEIZVHMXDQO-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
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-(2-hydroxyethylamino)-2-phenylpropan-1-ol
CID 115674879
2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-(2-methoxyethyl)acetamide
CID 115621387
2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-(3-methoxypropyl)propanamide
CID 105058024
5-[(1-hydroxy-2-phenylpropan-2-yl)amino]pentanoic acid
CID 113411730
5-[(1-hydroxy-2-phenylpropan-2-yl)amino]-2,2-dimethylpentanenitrile
CID 115670388
2-[2-(4-bromophenoxy)ethylamino]-2-phenylpropan-1-ol
CID 115619649
2-(3-methylbutylamino)-2-phenylpropan-1-ol
CID 115619641
N'-hydroxy-4-[(1-hydroxy-2-phenylpropan-2-yl)amino]butanimidamide
CID 105058316
2-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]-2-phenylpropan-1-ol
CID 106990619
2-(2-methoxyethylamino)-2-(4-propan-2-ylphenyl)propan-1-ol
CID 62543812
2-(2-tert-butylsulfonylethylamino)-2-phenylpropan-1-ol
CID 103713971
2-amino-N-(1-hydroxy-2-phenylpropan-2-yl)-5-methoxypentanamide
CID 105058068

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropylamino)-2-phenylpropan-1-ol?
The IUPAC name of 2-(3-methoxypropylamino)-2-phenylpropan-1-ol (CID 115621374) is 2-(3-methoxypropylamino)-2-phenylpropan-1-ol.
What is the SMILES notation for 2-(3-methoxypropylamino)-2-phenylpropan-1-ol?
The canonical SMILES for 2-(3-methoxypropylamino)-2-phenylpropan-1-ol is COCCCNC(C)(CO)c1ccccc1.
What is the InChIKey of 2-(3-methoxypropylamino)-2-phenylpropan-1-ol?
The InChIKey is XPEIEIZVHMXDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-13(11-15,14-9-6-10-16-2)12-7-4-3-5-8-12/h3-5,7-8,14-15H,6,9-11H2,1-2H3.
What are the key properties of 2-(3-methoxypropylamino)-2-phenylpropan-1-ol?
2-(3-methoxypropylamino)-2-phenylpropan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropylamino)-2-phenylpropan-1-ol is sourced from PubChem (CID 115621374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).