1-(3,5-dimethylphenyl)-N-methyl-1-(1-methylindazol-3-yl)methanamine

C18H21N3 — CID 103126239

IUPAC1-(3,5-dimethylphenyl)-N-methyl-1-(1-methylindazol-3-yl)methanamine
SMILESCNC(c1cc(C)cc(C)c1)c1nn(C)c2ccccc12
InChIInChI=1S/C18H21N3/c1-12-9-13(2)11-14(10-12)17(19-3)18-15-7-5-6-8-16(15)21(4)20-18/h5-11,17,19H,1-4H3
InChIKeyDPWXUYVNUWVDKS-UHFFFAOYSA-N
MW279.39 g/mol
LogP3.50
Rot. Bonds3

About 1-(3,5-dimethylphenyl)-N-methyl-1-(1-methylindazol-3-yl)methanamine

1-(3,5-dimethylphenyl)-N-methyl-1-(1-methylindazol-3-yl)methanamine (PubChem CID 103126239) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-N-methyl-1-(1-methylindazol-3-yl)methanamine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-N-methyl-1-(1-methylindazol-3-yl)methanamine
PubChem CID103126239
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name1-(3,5-dimethylphenyl)-N-methyl-1-(1-methylindazol-3-yl)methanamine
SMILESCNC(c1cc(C)cc(C)c1)c1nn(C)c2ccccc12
InChIInChI=1S/C18H21N3/c1-12-9-13(2)11-14(10-12)17(19-3)18-15-7-5-6-8-16(15)21(4)20-18/h5-11,17,19H,1-4H3
InChIKeyDPWXUYVNUWVDKS-UHFFFAOYSA-N
XLogP3.50
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylphenyl)-N-methyl-1-(1-methylindazol-3-yl)methanamine
CID 103126508
N-methyl-1-(1-methylindazol-3-yl)-1-pyridin-3-ylmethanamine
CID 103126250
[(1-methylindazol-3-yl)-(5-methyl-3-pyridinyl)methyl]hydrazine
CID 103129872
1-(4-fluoro-2-methylphenyl)-N-methyl-1-(1-methylindazol-3-yl)methanamine
CID 103126967
3-(difluoromethyl)-1-methylindazole
CID 153487584
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
(1S)-1-(1-methylindazol-3-yl)ethanamine
CID 96741257
[(4-bromo-1-methylpyrazol-5-yl)-(1-methylindazol-3-yl)methyl]hydrazine
CID 103129989
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

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-N-methyl-1-(1-methylindazol-3-yl)methanamine?
The IUPAC name of 1-(3,5-dimethylphenyl)-N-methyl-1-(1-methylindazol-3-yl)methanamine (CID 103126239) is 1-(3,5-dimethylphenyl)-N-methyl-1-(1-methylindazol-3-yl)methanamine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-N-methyl-1-(1-methylindazol-3-yl)methanamine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-N-methyl-1-(1-methylindazol-3-yl)methanamine is CNC(c1cc(C)cc(C)c1)c1nn(C)c2ccccc12.
What is the InChIKey of 1-(3,5-dimethylphenyl)-N-methyl-1-(1-methylindazol-3-yl)methanamine?
The InChIKey is DPWXUYVNUWVDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-12-9-13(2)11-14(10-12)17(19-3)18-15-7-5-6-8-16(15)21(4)20-18/h5-11,17,19H,1-4H3.
What are the key properties of 1-(3,5-dimethylphenyl)-N-methyl-1-(1-methylindazol-3-yl)methanamine?
1-(3,5-dimethylphenyl)-N-methyl-1-(1-methylindazol-3-yl)methanamine has a molecular weight of 279.39 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-N-methyl-1-(1-methylindazol-3-yl)methanamine is sourced from PubChem (CID 103126239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).