1-[[5-(3-aminoprop-1-ynyl)-2-methoxyphenyl]methyl-methylamino]propan-2-ol

C15H22N2O2 — CID 62337153

IUPAC1-[[5-(3-aminoprop-1-ynyl)-2-methoxyphenyl]methyl-methylamino]propan-2-ol
SMILESCOc1ccc(C#CCN)cc1CN(C)CC(C)O
InChIInChI=1S/C15H22N2O2/c1-12(18)10-17(2)11-14-9-13(5-4-8-16)6-7-15(14)19-3/h6-7,9,12,18H,8,10-11,16H2,1-3H3
InChIKeyOGRIQJMCQXACCT-UHFFFAOYSA-N
MW262.35 g/mol
LogP0.82
Rot. Bonds5

About 1-[[5-(3-aminoprop-1-ynyl)-2-methoxyphenyl]methyl-methylamino]propan-2-ol

1-[[5-(3-aminoprop-1-ynyl)-2-methoxyphenyl]methyl-methylamino]propan-2-ol (PubChem CID 62337153) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[[5-(3-aminoprop-1-ynyl)-2-methoxyphenyl]methyl-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[[5-(3-aminoprop-1-ynyl)-2-methoxyphenyl]methyl-methylamino]propan-2-ol
PubChem CID62337153
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-[[5-(3-aminoprop-1-ynyl)-2-methoxyphenyl]methyl-methylamino]propan-2-ol
SMILESCOc1ccc(C#CCN)cc1CN(C)CC(C)O
InChIInChI=1S/C15H22N2O2/c1-12(18)10-17(2)11-14-9-13(5-4-8-16)6-7-15(14)19-3/h6-7,9,12,18H,8,10-11,16H2,1-3H3
InChIKeyOGRIQJMCQXACCT-UHFFFAOYSA-N
XLogP0.82
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[[5-(3-aminoprop-1-ynyl)-2-methoxyphenyl]methyl-methylamino]propan-2-ol with MolForge

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Related Compounds

3-[4-methoxy-3-(pentan-2-yloxymethyl)phenyl]prop-2-yn-1-amine
CID 102983240
3-[3-[[2-hydroxyethyl(methyl)amino]methyl]-4-methoxyphenyl]prop-2-yn-1-ol
CID 54970322
2-[[5-(3-aminoprop-1-ynyl)-2-methoxyphenyl]methylsulfanyl]ethanol
CID 54969627
1-[(3-amino-4-methoxyphenyl)methyl-methylamino]propan-2-ol
CID 62333055
3-(3-chloro-4-methoxyphenyl)prop-2-yn-1-amine
CID 60802193
3-(3-fluoro-4-methoxyphenyl)prop-2-yn-1-amine
CID 60799775
1-[[3-(3-aminoprop-1-ynyl)phenyl]methyl-methylamino]-3-methoxypropan-2-ol
CID 54993979
3-[(2-methoxy-5-methylphenyl)methyl-methylamino]-2-methylpropanethioamide
CID 62161799
3-[4-methoxy-3-(2-methoxyethylsulfanylmethyl)phenyl]prop-2-yn-1-amine
CID 54970018
4-amino-1-[(2-methoxy-5-methylphenyl)methyl-methylamino]butan-2-ol
CID 117039190
3-[3-[[cyclopentylmethyl(methyl)amino]methyl]-4-methoxyphenyl]prop-2-yn-1-ol
CID 63631805
3-[[5-(4-hydroxybut-1-ynyl)-2-methoxyphenyl]methylsulfanyl]butan-2-ol
CID 107771545

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(3-aminoprop-1-ynyl)-2-methoxyphenyl]methyl-methylamino]propan-2-ol?
The IUPAC name of 1-[[5-(3-aminoprop-1-ynyl)-2-methoxyphenyl]methyl-methylamino]propan-2-ol (CID 62337153) is 1-[[5-(3-aminoprop-1-ynyl)-2-methoxyphenyl]methyl-methylamino]propan-2-ol.
What is the SMILES notation for 1-[[5-(3-aminoprop-1-ynyl)-2-methoxyphenyl]methyl-methylamino]propan-2-ol?
The canonical SMILES for 1-[[5-(3-aminoprop-1-ynyl)-2-methoxyphenyl]methyl-methylamino]propan-2-ol is COc1ccc(C#CCN)cc1CN(C)CC(C)O.
What is the InChIKey of 1-[[5-(3-aminoprop-1-ynyl)-2-methoxyphenyl]methyl-methylamino]propan-2-ol?
The InChIKey is OGRIQJMCQXACCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-12(18)10-17(2)11-14-9-13(5-4-8-16)6-7-15(14)19-3/h6-7,9,12,18H,8,10-11,16H2,1-3H3.
What are the key properties of 1-[[5-(3-aminoprop-1-ynyl)-2-methoxyphenyl]methyl-methylamino]propan-2-ol?
1-[[5-(3-aminoprop-1-ynyl)-2-methoxyphenyl]methyl-methylamino]propan-2-ol has a molecular weight of 262.35 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(3-aminoprop-1-ynyl)-2-methoxyphenyl]methyl-methylamino]propan-2-ol is sourced from PubChem (CID 62337153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).