1-indazol-1-yl-1-(4-methylphenyl)butan-2-amine

C18H21N3 — CID 62142049

IUPAC1-indazol-1-yl-1-(4-methylphenyl)butan-2-amine
SMILESCCC(N)C(c1ccc(C)cc1)n1ncc2ccccc21
InChIInChI=1S/C18H21N3/c1-3-16(19)18(14-10-8-13(2)9-11-14)21-17-7-5-4-6-15(17)12-20-21/h4-12,16,18H,3,19H2,1-2H3
InChIKeyNKRMDNWCVCFVTM-UHFFFAOYSA-N
MW279.39 g/mol
LogP3.67
Rot. Bonds4

About 1-indazol-1-yl-1-(4-methylphenyl)butan-2-amine

1-indazol-1-yl-1-(4-methylphenyl)butan-2-amine (PubChem CID 62142049) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is 1-indazol-1-yl-1-(4-methylphenyl)butan-2-amine.

Molecular Properties

Compound Name1-indazol-1-yl-1-(4-methylphenyl)butan-2-amine
PubChem CID62142049
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name1-indazol-1-yl-1-(4-methylphenyl)butan-2-amine
SMILESCCC(N)C(c1ccc(C)cc1)n1ncc2ccccc21
InChIInChI=1S/C18H21N3/c1-3-16(19)18(14-10-8-13(2)9-11-14)21-17-7-5-4-6-15(17)12-20-21/h4-12,16,18H,3,19H2,1-2H3
InChIKeyNKRMDNWCVCFVTM-UHFFFAOYSA-N
XLogP3.67
TPSA43.84 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 ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 42510
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CID 43817898
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CID 139456
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CID 2768032
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CID 44452853
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CID 10635415
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CID 304268
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Frequently Asked Questions

What is the IUPAC name of 1-indazol-1-yl-1-(4-methylphenyl)butan-2-amine?
The IUPAC name of 1-indazol-1-yl-1-(4-methylphenyl)butan-2-amine (CID 62142049) is 1-indazol-1-yl-1-(4-methylphenyl)butan-2-amine.
What is the SMILES notation for 1-indazol-1-yl-1-(4-methylphenyl)butan-2-amine?
The canonical SMILES for 1-indazol-1-yl-1-(4-methylphenyl)butan-2-amine is CCC(N)C(c1ccc(C)cc1)n1ncc2ccccc21.
What is the InChIKey of 1-indazol-1-yl-1-(4-methylphenyl)butan-2-amine?
The InChIKey is NKRMDNWCVCFVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-3-16(19)18(14-10-8-13(2)9-11-14)21-17-7-5-4-6-15(17)12-20-21/h4-12,16,18H,3,19H2,1-2H3.
What are the key properties of 1-indazol-1-yl-1-(4-methylphenyl)butan-2-amine?
1-indazol-1-yl-1-(4-methylphenyl)butan-2-amine has a molecular weight of 279.39 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-indazol-1-yl-1-(4-methylphenyl)butan-2-amine is sourced from PubChem (CID 62142049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).