3-(7-methoxy-1H-indazol-5-yl)-N-methyl-3-phenylpropan-1-amine

C18H21N3O — CID 59831836

IUPAC3-(7-methoxy-1H-indazol-5-yl)-N-methyl-3-phenylpropan-1-amine
SMILESCNCCC(c1ccccc1)c1cc(OC)c2[nH]ncc2c1
InChIInChI=1S/C18H21N3O/c1-19-9-8-16(13-6-4-3-5-7-13)14-10-15-12-20-21-18(15)17(11-14)22-2/h3-7,10-12,16,19H,8-9H2,1-2H3,(H,20,21)
InChIKeyMWIBHXSHQBVLPA-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.31
Rot. Bonds6

About 3-(7-methoxy-1H-indazol-5-yl)-N-methyl-3-phenylpropan-1-amine

3-(7-methoxy-1H-indazol-5-yl)-N-methyl-3-phenylpropan-1-amine (PubChem CID 59831836) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 3-(7-methoxy-1H-indazol-5-yl)-N-methyl-3-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(7-methoxy-1H-indazol-5-yl)-N-methyl-3-phenylpropan-1-amine
PubChem CID59831836
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name3-(7-methoxy-1H-indazol-5-yl)-N-methyl-3-phenylpropan-1-amine
SMILESCNCCC(c1ccccc1)c1cc(OC)c2[nH]ncc2c1
InChIInChI=1S/C18H21N3O/c1-19-9-8-16(13-6-4-3-5-7-13)14-10-15-12-20-21-18(15)17(11-14)22-2/h3-7,10-12,16,19H,8-9H2,1-2H3,(H,20,21)
InChIKeyMWIBHXSHQBVLPA-UHFFFAOYSA-N
XLogP3.31
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-phenyl-3-[7-(trifluoromethyl)-1H-indazol-5-yl]propan-1-amine
CID 59831610
3-(4-methoxy-1H-indol-6-yl)-N-methyl-3-phenylpropan-1-amine;hydrochloride
CID 25261735
N-methyl-3,3-diphenylpropan-1-amine;hydrochloride
CID 21467371
3-(7-methoxy-1-benzofuran-2-yl)-N-methyl-3-phenylpropan-1-amine
CID 58088427
3-(4-bromo-7-methoxy-1H-indol-3-yl)-N-methyl-3-phenylpropan-1-amine
CID 58088539
3-(4-methoxy-1-benzofuran-2-yl)-N-methyl-3-phenylpropan-1-amine
CID 58088467
4-(4-methoxy-1H-indol-3-yl)-N-methyl-4-phenylbutan-1-amine
CID 58088594
5-bromo-7-methoxy-1H-indazole
CID 83669485
4-methoxy-3-[3-(methylamino)-1-pyridin-3-ylpropyl]-1H-indole-7-carbonitrile
CID 58088593
hydron;3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine;chloride
CID 74765078
3-(1H-indol-3-yl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 58088410
3-(6-methoxy-1H-indol-2-yl)-N-methyl-3-phenylpropan-1-amine
CID 58088610

Frequently Asked Questions

What is the IUPAC name of 3-(7-methoxy-1H-indazol-5-yl)-N-methyl-3-phenylpropan-1-amine?
The IUPAC name of 3-(7-methoxy-1H-indazol-5-yl)-N-methyl-3-phenylpropan-1-amine (CID 59831836) is 3-(7-methoxy-1H-indazol-5-yl)-N-methyl-3-phenylpropan-1-amine.
What is the SMILES notation for 3-(7-methoxy-1H-indazol-5-yl)-N-methyl-3-phenylpropan-1-amine?
The canonical SMILES for 3-(7-methoxy-1H-indazol-5-yl)-N-methyl-3-phenylpropan-1-amine is CNCCC(c1ccccc1)c1cc(OC)c2[nH]ncc2c1.
What is the InChIKey of 3-(7-methoxy-1H-indazol-5-yl)-N-methyl-3-phenylpropan-1-amine?
The InChIKey is MWIBHXSHQBVLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-19-9-8-16(13-6-4-3-5-7-13)14-10-15-12-20-21-18(15)17(11-14)22-2/h3-7,10-12,16,19H,8-9H2,1-2H3,(H,20,21).
What are the key properties of 3-(7-methoxy-1H-indazol-5-yl)-N-methyl-3-phenylpropan-1-amine?
3-(7-methoxy-1H-indazol-5-yl)-N-methyl-3-phenylpropan-1-amine has a molecular weight of 295.39 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methoxy-1H-indazol-5-yl)-N-methyl-3-phenylpropan-1-amine is sourced from PubChem (CID 59831836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).