1-(8-methoxybenzo[g]indazol-1-yl)propan-2-amine

C15H17N3O — CID 3045224

IUPAC1-(8-methoxybenzo[g]indazol-1-yl)propan-2-amine
SMILESCOc1ccc2ccc3cnn(CC(C)N)c3c2c1
InChIInChI=1S/C15H17N3O/c1-10(16)9-18-15-12(8-17-18)4-3-11-5-6-13(19-2)7-14(11)15/h3-8,10H,9,16H2,1-2H3
InChIKeyWPRIZFGAGYNOLH-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.55
Rot. Bonds3

About 1-(8-methoxybenzo[g]indazol-1-yl)propan-2-amine

1-(8-methoxybenzo[g]indazol-1-yl)propan-2-amine (PubChem CID 3045224) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-(8-methoxybenzo[g]indazol-1-yl)propan-2-amine.

Molecular Properties

Compound Name1-(8-methoxybenzo[g]indazol-1-yl)propan-2-amine
PubChem CID3045224
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name1-(8-methoxybenzo[g]indazol-1-yl)propan-2-amine
SMILESCOc1ccc2ccc3cnn(CC(C)N)c3c2c1
InChIInChI=1S/C15H17N3O/c1-10(16)9-18-15-12(8-17-18)4-3-11-5-6-13(19-2)7-14(11)15/h3-8,10H,9,16H2,1-2H3
InChIKeyWPRIZFGAGYNOLH-UHFFFAOYSA-N
XLogP2.55
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(8-methoxybenzo[g]indazol-1-yl)propan-2-amine?
The IUPAC name of 1-(8-methoxybenzo[g]indazol-1-yl)propan-2-amine (CID 3045224) is 1-(8-methoxybenzo[g]indazol-1-yl)propan-2-amine.
What is the SMILES notation for 1-(8-methoxybenzo[g]indazol-1-yl)propan-2-amine?
The canonical SMILES for 1-(8-methoxybenzo[g]indazol-1-yl)propan-2-amine is COc1ccc2ccc3cnn(CC(C)N)c3c2c1.
What is the InChIKey of 1-(8-methoxybenzo[g]indazol-1-yl)propan-2-amine?
The InChIKey is WPRIZFGAGYNOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-10(16)9-18-15-12(8-17-18)4-3-11-5-6-13(19-2)7-14(11)15/h3-8,10H,9,16H2,1-2H3.
What are the key properties of 1-(8-methoxybenzo[g]indazol-1-yl)propan-2-amine?
1-(8-methoxybenzo[g]indazol-1-yl)propan-2-amine has a molecular weight of 255.32 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-methoxybenzo[g]indazol-1-yl)propan-2-amine is sourced from PubChem (CID 3045224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).