1-(4-fluoro-2-methylphenyl)-N-methyl-1-(1-methylindazol-3-yl)methanamine

C17H18FN3 — CID 103126967

IUPAC1-(4-fluoro-2-methylphenyl)-N-methyl-1-(1-methylindazol-3-yl)methanamine
SMILESCNC(c1ccc(F)cc1C)c1nn(C)c2ccccc12
InChIInChI=1S/C17H18FN3/c1-11-10-12(18)8-9-13(11)16(19-2)17-14-6-4-5-7-15(14)21(3)20-17/h4-10,16,19H,1-3H3
InChIKeyGYCZXBXUCKBNHQ-UHFFFAOYSA-N
MW283.35 g/mol
LogP3.33
Rot. Bonds3

About 1-(4-fluoro-2-methylphenyl)-N-methyl-1-(1-methylindazol-3-yl)methanamine

1-(4-fluoro-2-methylphenyl)-N-methyl-1-(1-methylindazol-3-yl)methanamine (PubChem CID 103126967) has the molecular formula C17H18FN3 and a molecular weight of 283.35 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-N-methyl-1-(1-methylindazol-3-yl)methanamine.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-N-methyl-1-(1-methylindazol-3-yl)methanamine
PubChem CID103126967
Molecular FormulaC17H18FN3
Molecular Weight283.35 g/mol
Exact Mass283.15
IUPAC Name1-(4-fluoro-2-methylphenyl)-N-methyl-1-(1-methylindazol-3-yl)methanamine
SMILESCNC(c1ccc(F)cc1C)c1nn(C)c2ccccc12
InChIInChI=1S/C17H18FN3/c1-11-10-12(18)8-9-13(11)16(19-2)17-14-6-4-5-7-15(14)21(3)20-17/h4-10,16,19H,1-3H3
InChIKeyGYCZXBXUCKBNHQ-UHFFFAOYSA-N
XLogP3.33
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 53.33
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
1-(4-ethylphenyl)-N-methyl-1-(1-methylindazol-3-yl)methanamine
CID 103126508
(2,3-difluoro-4-methylphenyl)-(1-methylindazol-3-yl)methanamine
CID 107516114
N-methyl-1-(1-methylindazol-3-yl)-1-pyridin-3-ylmethanamine
CID 103126250
1-(4-fluoro-2-methylphenyl)-N-methyl-1-quinolin-3-ylmethanamine
CID 81268272
3-(difluoromethyl)-1-methylindazole
CID 153487584
1-(2-fluoro-3-methylphenyl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 115852431
N-methyl-1-(1-methylindazol-3-yl)-1-(3-propyltriazol-4-yl)methanamine
CID 103128167
1-(4-chlorophenyl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 62791007
1-(4-fluoro-2-methylphenyl)-N-methyl-1-(6-methyl-2-pyridinyl)methanamine
CID 63553819
(4-methoxy-2-methylphenyl)-(1-methylindazol-3-yl)methanol
CID 103128610
(2-fluoro-5-methylphenyl)-(1-methylindazol-3-yl)methanol
CID 103128770

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-N-methyl-1-(1-methylindazol-3-yl)methanamine?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-N-methyl-1-(1-methylindazol-3-yl)methanamine (CID 103126967) is 1-(4-fluoro-2-methylphenyl)-N-methyl-1-(1-methylindazol-3-yl)methanamine.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-N-methyl-1-(1-methylindazol-3-yl)methanamine?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-N-methyl-1-(1-methylindazol-3-yl)methanamine is CNC(c1ccc(F)cc1C)c1nn(C)c2ccccc12.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-N-methyl-1-(1-methylindazol-3-yl)methanamine?
The InChIKey is GYCZXBXUCKBNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3/c1-11-10-12(18)8-9-13(11)16(19-2)17-14-6-4-5-7-15(14)21(3)20-17/h4-10,16,19H,1-3H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-N-methyl-1-(1-methylindazol-3-yl)methanamine?
1-(4-fluoro-2-methylphenyl)-N-methyl-1-(1-methylindazol-3-yl)methanamine has a molecular weight of 283.35 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-N-methyl-1-(1-methylindazol-3-yl)methanamine is sourced from PubChem (CID 103126967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).