(2-methoxy-5-methylphenyl)-(1-methylindazol-3-yl)methanamine

C17H19N3O — CID 103127012

IUPAC(2-methoxy-5-methylphenyl)-(1-methylindazol-3-yl)methanamine
SMILESCOc1ccc(C)cc1C(N)c1nn(C)c2ccccc12
InChIInChI=1S/C17H19N3O/c1-11-8-9-15(21-3)13(10-11)16(18)17-12-6-4-5-7-14(12)20(2)19-17/h4-10,16H,18H2,1-3H3
InChIKeyIAIVQFRKYKISOY-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.94
Rot. Bonds3

About (2-methoxy-5-methylphenyl)-(1-methylindazol-3-yl)methanamine

(2-methoxy-5-methylphenyl)-(1-methylindazol-3-yl)methanamine (PubChem CID 103127012) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is (2-methoxy-5-methylphenyl)-(1-methylindazol-3-yl)methanamine.

Molecular Properties

Compound Name(2-methoxy-5-methylphenyl)-(1-methylindazol-3-yl)methanamine
PubChem CID103127012
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name(2-methoxy-5-methylphenyl)-(1-methylindazol-3-yl)methanamine
SMILESCOc1ccc(C)cc1C(N)c1nn(C)c2ccccc12
InChIInChI=1S/C17H19N3O/c1-11-8-9-15(21-3)13(10-11)16(18)17-12-6-4-5-7-14(12)20(2)19-17/h4-10,16H,18H2,1-3H3
InChIKeyIAIVQFRKYKISOY-UHFFFAOYSA-N
XLogP2.94
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-chlorophenyl)-(1-methylindazol-3-yl)methanamine
CID 103126271
2-(2-methoxyphenyl)-1-(1-methylindazol-3-yl)ethanamine
CID 103126355
(2,6-dimethoxyphenyl)-(2-methoxy-5-methylphenyl)methanamine
CID 43626072
(2-methoxy-5-methylphenyl)-(5-methylpyrazin-2-yl)methanamine
CID 105144106
(4-methoxy-2-methylphenyl)-(1-methylindazol-3-yl)methanol
CID 103128610
cyclohepten-1-yl-(1-methylindazol-3-yl)methanamine
CID 106657105
2-amino-2-(1-methylindazol-3-yl)ethanol
CID 82604101
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine
CID 94874302
3-[amino-(2-methoxy-5-methylphenyl)methyl]-1,6-dimethylpyridin-2-one
CID 82525489
(2-fluoro-6-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanamine
CID 65434780
(3-fluoro-4-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanamine
CID 62505966
(2-methoxy-5-methylphenyl)-(4-methoxy-2-methylphenyl)methanamine
CID 62505242

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-5-methylphenyl)-(1-methylindazol-3-yl)methanamine?
The IUPAC name of (2-methoxy-5-methylphenyl)-(1-methylindazol-3-yl)methanamine (CID 103127012) is (2-methoxy-5-methylphenyl)-(1-methylindazol-3-yl)methanamine.
What is the SMILES notation for (2-methoxy-5-methylphenyl)-(1-methylindazol-3-yl)methanamine?
The canonical SMILES for (2-methoxy-5-methylphenyl)-(1-methylindazol-3-yl)methanamine is COc1ccc(C)cc1C(N)c1nn(C)c2ccccc12.
What is the InChIKey of (2-methoxy-5-methylphenyl)-(1-methylindazol-3-yl)methanamine?
The InChIKey is IAIVQFRKYKISOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-11-8-9-15(21-3)13(10-11)16(18)17-12-6-4-5-7-14(12)20(2)19-17/h4-10,16H,18H2,1-3H3.
What are the key properties of (2-methoxy-5-methylphenyl)-(1-methylindazol-3-yl)methanamine?
(2-methoxy-5-methylphenyl)-(1-methylindazol-3-yl)methanamine has a molecular weight of 281.36 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-5-methylphenyl)-(1-methylindazol-3-yl)methanamine is sourced from PubChem (CID 103127012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).