2-methoxy-N-[(1-methylindazol-3-yl)methyl]propan-1-amine

C13H19N3O — CID 102698056

IUPAC2-methoxy-N-[(1-methylindazol-3-yl)methyl]propan-1-amine
SMILESCOC(C)CNCc1nn(C)c2ccccc12
InChIInChI=1S/C13H19N3O/c1-10(17-3)8-14-9-12-11-6-4-5-7-13(11)16(2)15-12/h4-7,10,14H,8-9H2,1-3H3
InChIKeyOMDYDTHQKWTLKN-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.70
Rot. Bonds5

About 2-methoxy-N-[(1-methylindazol-3-yl)methyl]propan-1-amine

2-methoxy-N-[(1-methylindazol-3-yl)methyl]propan-1-amine (PubChem CID 102698056) has the molecular formula C13H19N3O and a molecular weight of 233.32 g/mol. Its IUPAC name is 2-methoxy-N-[(1-methylindazol-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-methoxy-N-[(1-methylindazol-3-yl)methyl]propan-1-amine
PubChem CID102698056
Molecular FormulaC13H19N3O
Molecular Weight233.32 g/mol
Exact Mass233.15
IUPAC Name2-methoxy-N-[(1-methylindazol-3-yl)methyl]propan-1-amine
SMILESCOC(C)CNCc1nn(C)c2ccccc12
InChIInChI=1S/C13H19N3O/c1-10(17-3)8-14-9-12-11-6-4-5-7-13(11)16(2)15-12/h4-7,10,14H,8-9H2,1-3H3
InChIKeyOMDYDTHQKWTLKN-UHFFFAOYSA-N
XLogP1.70
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[(1-methylindazol-3-yl)methyl]-2-propan-2-ylbutan-1-amine
CID 102905509
4-methoxy-N-[(1-methylindazol-3-yl)methyl]butan-1-amine
CID 63001587
N-methyl-1-(1-methylindazol-3-yl)methanamine;hydrochloride
CID 131083250
methoxymethane;(1-methylindazol-3-yl)methanol
CID 91551429
N-[(1-methylindazol-3-yl)methyl]hexan-1-amine
CID 62997880
N-[(1-methylindazol-3-yl)methyl]-1-methylsulfanylpropan-2-amine
CID 115639747
N'-(2-methoxyethyl)-N'-methyl-N-[(1-methylindazol-3-yl)methyl]ethane-1,2-diamine
CID 63001740
2-methoxy-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine
CID 102696777
5-bromo-N-[(1-methylindazol-3-yl)methyl]pentan-1-amine
CID 107320459
(2R)-2-[(1-methylindazol-3-yl)methylamino]propanoic acid
CID 83195291
2-methyl-N-[[5-(1-methylindazol-3-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 103123663
N-[(1-methylindazol-3-yl)methyl]-1-(oxan-4-yl)methanamine
CID 63000865

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(1-methylindazol-3-yl)methyl]propan-1-amine?
The IUPAC name of 2-methoxy-N-[(1-methylindazol-3-yl)methyl]propan-1-amine (CID 102698056) is 2-methoxy-N-[(1-methylindazol-3-yl)methyl]propan-1-amine.
What is the SMILES notation for 2-methoxy-N-[(1-methylindazol-3-yl)methyl]propan-1-amine?
The canonical SMILES for 2-methoxy-N-[(1-methylindazol-3-yl)methyl]propan-1-amine is COC(C)CNCc1nn(C)c2ccccc12.
What is the InChIKey of 2-methoxy-N-[(1-methylindazol-3-yl)methyl]propan-1-amine?
The InChIKey is OMDYDTHQKWTLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-10(17-3)8-14-9-12-11-6-4-5-7-13(11)16(2)15-12/h4-7,10,14H,8-9H2,1-3H3.
What are the key properties of 2-methoxy-N-[(1-methylindazol-3-yl)methyl]propan-1-amine?
2-methoxy-N-[(1-methylindazol-3-yl)methyl]propan-1-amine has a molecular weight of 233.32 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(1-methylindazol-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 102698056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).