1-[2-[(cyclopropylamino)methyl]phenoxy]-3-(2-methoxyethoxy)propan-2-ol

C16H25NO4 — CID 106988475

IUPAC1-[2-[(cyclopropylamino)methyl]phenoxy]-3-(2-methoxyethoxy)propan-2-ol
SMILESCOCCOCC(O)COc1ccccc1CNC1CC1
InChIInChI=1S/C16H25NO4/c1-19-8-9-20-11-15(18)12-21-16-5-3-2-4-13(16)10-17-14-6-7-14/h2-5,14-15,17-18H,6-12H2,1H3
InChIKeyXOCSDNVUGOJGTN-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.34
Rot. Bonds11

About 1-[2-[(cyclopropylamino)methyl]phenoxy]-3-(2-methoxyethoxy)propan-2-ol

1-[2-[(cyclopropylamino)methyl]phenoxy]-3-(2-methoxyethoxy)propan-2-ol (PubChem CID 106988475) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-[2-[(cyclopropylamino)methyl]phenoxy]-3-(2-methoxyethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[2-[(cyclopropylamino)methyl]phenoxy]-3-(2-methoxyethoxy)propan-2-ol
PubChem CID106988475
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Name1-[2-[(cyclopropylamino)methyl]phenoxy]-3-(2-methoxyethoxy)propan-2-ol
SMILESCOCCOCC(O)COc1ccccc1CNC1CC1
InChIInChI=1S/C16H25NO4/c1-19-8-9-20-11-15(18)12-21-16-5-3-2-4-13(16)10-17-14-6-7-14/h2-5,14-15,17-18H,6-12H2,1H3
InChIKeyXOCSDNVUGOJGTN-UHFFFAOYSA-N
XLogP1.34
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 62443971
1-[2-[(cyclopropylamino)methyl]-6-methoxyphenoxy]-3-methoxypropan-2-ol
CID 63931067
1-(2-aminophenoxy)-3-[2-(2-methoxyethoxy)ethoxy]propan-2-ol
CID 104560220
1-[3-chloro-2-(methylaminomethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol
CID 106988840
N-[[2-[2-[3-methoxypropyl(methyl)amino]ethoxy]phenyl]methyl]cyclopropanamine
CID 63009926
N-[[2-(2-methylsulfonylethoxy)phenyl]methyl]cyclopropanamine
CID 54937034
3-[2-[(2-methoxyethylamino)methyl]phenoxy]propane-1,2-diol
CID 82850622
N-tert-butyl-2-[2-[(cyclopropylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17053262
1-[2-(2-methoxyethoxymethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 23471036
1,3-bis[2-(chloromethyl)phenoxy]propan-2-ol
CID 11336770
1-(cyclobutylamino)-3-(2-methoxyphenoxy)propan-2-ol
CID 62414951
4-[(2-ethoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 60809553

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(cyclopropylamino)methyl]phenoxy]-3-(2-methoxyethoxy)propan-2-ol?
The IUPAC name of 1-[2-[(cyclopropylamino)methyl]phenoxy]-3-(2-methoxyethoxy)propan-2-ol (CID 106988475) is 1-[2-[(cyclopropylamino)methyl]phenoxy]-3-(2-methoxyethoxy)propan-2-ol.
What is the SMILES notation for 1-[2-[(cyclopropylamino)methyl]phenoxy]-3-(2-methoxyethoxy)propan-2-ol?
The canonical SMILES for 1-[2-[(cyclopropylamino)methyl]phenoxy]-3-(2-methoxyethoxy)propan-2-ol is COCCOCC(O)COc1ccccc1CNC1CC1.
What is the InChIKey of 1-[2-[(cyclopropylamino)methyl]phenoxy]-3-(2-methoxyethoxy)propan-2-ol?
The InChIKey is XOCSDNVUGOJGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-19-8-9-20-11-15(18)12-21-16-5-3-2-4-13(16)10-17-14-6-7-14/h2-5,14-15,17-18H,6-12H2,1H3.
What are the key properties of 1-[2-[(cyclopropylamino)methyl]phenoxy]-3-(2-methoxyethoxy)propan-2-ol?
1-[2-[(cyclopropylamino)methyl]phenoxy]-3-(2-methoxyethoxy)propan-2-ol has a molecular weight of 295.38 g/mol, XLogP of 1.34, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(cyclopropylamino)methyl]phenoxy]-3-(2-methoxyethoxy)propan-2-ol is sourced from PubChem (CID 106988475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).