1-(4-ethylphenyl)-N-methyl-1-(1-methylindazol-3-yl)methanamine

C18H21N3 — CID 103126508

IUPAC1-(4-ethylphenyl)-N-methyl-1-(1-methylindazol-3-yl)methanamine
SMILESCCc1ccc(C(NC)c2nn(C)c3ccccc23)cc1
InChIInChI=1S/C18H21N3/c1-4-13-9-11-14(12-10-13)17(19-2)18-15-7-5-6-8-16(15)21(3)20-18/h5-12,17,19H,4H2,1-3H3
InChIKeyGOQFIKAJHXWXER-UHFFFAOYSA-N
MW279.39 g/mol
LogP3.44
Rot. Bonds4

About 1-(4-ethylphenyl)-N-methyl-1-(1-methylindazol-3-yl)methanamine

1-(4-ethylphenyl)-N-methyl-1-(1-methylindazol-3-yl)methanamine (PubChem CID 103126508) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-methyl-1-(1-methylindazol-3-yl)methanamine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-methyl-1-(1-methylindazol-3-yl)methanamine
PubChem CID103126508
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name1-(4-ethylphenyl)-N-methyl-1-(1-methylindazol-3-yl)methanamine
SMILESCCc1ccc(C(NC)c2nn(C)c3ccccc23)cc1
InChIInChI=1S/C18H21N3/c1-4-13-9-11-14(12-10-13)17(19-2)18-15-7-5-6-8-16(15)21(3)20-18/h5-12,17,19H,4H2,1-3H3
InChIKeyGOQFIKAJHXWXER-UHFFFAOYSA-N
XLogP3.44
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethylphenyl)-N-methyl-1-(1-methylindazol-3-yl)methanamine
CID 103126239
N-methyl-1-(1-methylindazol-3-yl)-1-pyridin-3-ylmethanamine
CID 103126250
N-methyl-1-(1-methylindazol-3-yl)-1-(3-propyltriazol-4-yl)methanamine
CID 103128167
1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-(1-methylindazol-3-yl)methanamine
CID 103128186
1-(4-fluoro-2-methylphenyl)-N-methyl-1-(1-methylindazol-3-yl)methanamine
CID 103126967
N-methyl-1-(1-methylindazol-3-yl)-3-phenylpropan-1-amine
CID 103126196
N-methyl-1-(1-methylindazol-3-yl)octan-1-amine
CID 103126552
N-[(1-methylindazol-3-yl)-pyridin-3-ylmethyl]ethanamine
CID 103126252
1-(1-methylindazol-3-yl)propylhydrazine
CID 103129371
1-(4-ethylphenyl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 63962866
3-(difluoromethyl)-1-methylindazole
CID 153487584
N-[(1-methylindazol-3-yl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 103126319

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N-methyl-1-(1-methylindazol-3-yl)methanamine?
The IUPAC name of 1-(4-ethylphenyl)-N-methyl-1-(1-methylindazol-3-yl)methanamine (CID 103126508) is 1-(4-ethylphenyl)-N-methyl-1-(1-methylindazol-3-yl)methanamine.
What is the SMILES notation for 1-(4-ethylphenyl)-N-methyl-1-(1-methylindazol-3-yl)methanamine?
The canonical SMILES for 1-(4-ethylphenyl)-N-methyl-1-(1-methylindazol-3-yl)methanamine is CCc1ccc(C(NC)c2nn(C)c3ccccc23)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N-methyl-1-(1-methylindazol-3-yl)methanamine?
The InChIKey is GOQFIKAJHXWXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-4-13-9-11-14(12-10-13)17(19-2)18-15-7-5-6-8-16(15)21(3)20-18/h5-12,17,19H,4H2,1-3H3.
What are the key properties of 1-(4-ethylphenyl)-N-methyl-1-(1-methylindazol-3-yl)methanamine?
1-(4-ethylphenyl)-N-methyl-1-(1-methylindazol-3-yl)methanamine has a molecular weight of 279.39 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N-methyl-1-(1-methylindazol-3-yl)methanamine is sourced from PubChem (CID 103126508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).