2-methoxy-N-[[1-(2-propoxyethyl)indazol-3-yl]methyl]ethanamine

C16H25N3O2 — CID 106458306

IUPAC2-methoxy-N-[[1-(2-propoxyethyl)indazol-3-yl]methyl]ethanamine
SMILESCCCOCCn1nc(CNCCOC)c2ccccc21
InChIInChI=1S/C16H25N3O2/c1-3-10-21-12-9-19-16-7-5-4-6-14(16)15(18-19)13-17-8-11-20-2/h4-7,17H,3,8-13H2,1-2H3
InChIKeyUBHRZQILTBXAQS-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.20
Rot. Bonds10

About 2-methoxy-N-[[1-(2-propoxyethyl)indazol-3-yl]methyl]ethanamine

2-methoxy-N-[[1-(2-propoxyethyl)indazol-3-yl]methyl]ethanamine (PubChem CID 106458306) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 2-methoxy-N-[[1-(2-propoxyethyl)indazol-3-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-(2-propoxyethyl)indazol-3-yl]methyl]ethanamine
PubChem CID106458306
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name2-methoxy-N-[[1-(2-propoxyethyl)indazol-3-yl]methyl]ethanamine
SMILESCCCOCCn1nc(CNCCOC)c2ccccc21
InChIInChI=1S/C16H25N3O2/c1-3-10-21-12-9-19-16-7-5-4-6-14(16)15(18-19)13-17-8-11-20-2/h4-7,17H,3,8-13H2,1-2H3
InChIKeyUBHRZQILTBXAQS-UHFFFAOYSA-N
XLogP2.20
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(2-propoxyethyl)indazol-3-yl]methyl]propan-2-amine
CID 106458301
1-[1-[2-(3-methoxypropoxy)ethyl]indazol-3-yl]-N-methylmethanamine
CID 103184311
N-[(1-ethylindazol-3-yl)methyl]-5-methoxypentan-1-amine
CID 104878924
4-methoxy-N-[(1-methylindazol-3-yl)methyl]butan-1-amine
CID 63001587
2-methoxy-N-[[1-(2-propoxyethyl)indol-4-yl]methyl]ethanamine
CID 106455254
3-ethyl-1-(propoxymethyl)indazole
CID 70846953
N'-(2-methoxyethyl)-N'-methyl-N-[(1-methylindazol-3-yl)methyl]ethane-1,2-diamine
CID 63001740
N-[(1-ethylindazol-3-yl)methyl]-4-propan-2-yloxybutan-1-amine
CID 104879613
N-[(1-methylindazol-3-yl)methyl]hexan-1-amine
CID 62997880
1,3-dipropylindazole
CID 174534089
2-methoxy-N-[[1-(3-propoxypropyl)imidazol-4-yl]methyl]ethanamine
CID 114204437
1-(2-ethoxyethyl)indazol-3-amine
CID 62687666

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-(2-propoxyethyl)indazol-3-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-(2-propoxyethyl)indazol-3-yl]methyl]ethanamine (CID 106458306) is 2-methoxy-N-[[1-(2-propoxyethyl)indazol-3-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-(2-propoxyethyl)indazol-3-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-(2-propoxyethyl)indazol-3-yl]methyl]ethanamine is CCCOCCn1nc(CNCCOC)c2ccccc21.
What is the InChIKey of 2-methoxy-N-[[1-(2-propoxyethyl)indazol-3-yl]methyl]ethanamine?
The InChIKey is UBHRZQILTBXAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-3-10-21-12-9-19-16-7-5-4-6-14(16)15(18-19)13-17-8-11-20-2/h4-7,17H,3,8-13H2,1-2H3.
What are the key properties of 2-methoxy-N-[[1-(2-propoxyethyl)indazol-3-yl]methyl]ethanamine?
2-methoxy-N-[[1-(2-propoxyethyl)indazol-3-yl]methyl]ethanamine has a molecular weight of 291.40 g/mol, XLogP of 2.20, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-(2-propoxyethyl)indazol-3-yl]methyl]ethanamine is sourced from PubChem (CID 106458306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).