2-[(5-amino-2-methoxyphenyl)methyl-cyclopropylamino]ethanol

C13H20N2O2 — CID 54995976

IUPAC2-[(5-amino-2-methoxyphenyl)methyl-cyclopropylamino]ethanol
SMILESCOc1ccc(N)cc1CN(CCO)C1CC1
InChIInChI=1S/C13H20N2O2/c1-17-13-5-2-11(14)8-10(13)9-15(6-7-16)12-3-4-12/h2,5,8,12,16H,3-4,6-7,9,14H2,1H3
InChIKeyDSJDNOAQWVLCRB-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.23
Rot. Bonds6

About 2-[(5-amino-2-methoxyphenyl)methyl-cyclopropylamino]ethanol

2-[(5-amino-2-methoxyphenyl)methyl-cyclopropylamino]ethanol (PubChem CID 54995976) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[(5-amino-2-methoxyphenyl)methyl-cyclopropylamino]ethanol.

Molecular Properties

Compound Name2-[(5-amino-2-methoxyphenyl)methyl-cyclopropylamino]ethanol
PubChem CID54995976
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-[(5-amino-2-methoxyphenyl)methyl-cyclopropylamino]ethanol
SMILESCOc1ccc(N)cc1CN(CCO)C1CC1
InChIInChI=1S/C13H20N2O2/c1-17-13-5-2-11(14)8-10(13)9-15(6-7-16)12-3-4-12/h2,5,8,12,16H,3-4,6-7,9,14H2,1H3
InChIKeyDSJDNOAQWVLCRB-UHFFFAOYSA-N
XLogP1.23
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[cyclopropyl-[(5-fluoro-2-methoxyphenyl)methyl]amino]ethanol
CID 60510272
3-[[cyclopropyl(ethyl)amino]methyl]-4-methoxyaniline
CID 43263758
2-[(5-bromo-2-methoxyphenyl)methyl-cyclopropylamino]ethanol
CID 60774401
3-[(5-amino-2-methoxyphenyl)methyl-cyclopropylamino]propanenitrile
CID 54996360
2-[cyclobutyl-[(5-fluoro-2-methoxyphenyl)methyl]amino]ethanol
CID 102676925
4-amino-2-[[cyclobutyl(2-hydroxyethyl)amino]methyl]phenol
CID 102860411
2-[(5-bromo-2-methoxyphenyl)methyl-cyclohexylamino]ethanol
CID 60694517
2-[[3-(aminomethyl)-4-methoxyphenyl]methyl-cyclobutylamino]ethanol
CID 102860731
1-[3-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-4-methoxyphenyl]ethanone
CID 60911414
3-[3-[[cyclobutyl(2-hydroxyethyl)amino]methyl]-4-methoxyphenyl]prop-2-yn-1-ol
CID 102869818
2-[(4-amino-2-fluorophenyl)methyl-cyclohexylamino]ethanol
CID 64768267
3-[(5-bromo-2-methoxyphenyl)methyl-cyclopropylamino]propanethioamide
CID 54997344

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-2-methoxyphenyl)methyl-cyclopropylamino]ethanol?
The IUPAC name of 2-[(5-amino-2-methoxyphenyl)methyl-cyclopropylamino]ethanol (CID 54995976) is 2-[(5-amino-2-methoxyphenyl)methyl-cyclopropylamino]ethanol.
What is the SMILES notation for 2-[(5-amino-2-methoxyphenyl)methyl-cyclopropylamino]ethanol?
The canonical SMILES for 2-[(5-amino-2-methoxyphenyl)methyl-cyclopropylamino]ethanol is COc1ccc(N)cc1CN(CCO)C1CC1.
What is the InChIKey of 2-[(5-amino-2-methoxyphenyl)methyl-cyclopropylamino]ethanol?
The InChIKey is DSJDNOAQWVLCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-17-13-5-2-11(14)8-10(13)9-15(6-7-16)12-3-4-12/h2,5,8,12,16H,3-4,6-7,9,14H2,1H3.
What are the key properties of 2-[(5-amino-2-methoxyphenyl)methyl-cyclopropylamino]ethanol?
2-[(5-amino-2-methoxyphenyl)methyl-cyclopropylamino]ethanol has a molecular weight of 236.31 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-2-methoxyphenyl)methyl-cyclopropylamino]ethanol is sourced from PubChem (CID 54995976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).