N,N-dimethyl-3-(5-methyl-3-phenylindazol-1-yl)propan-1-amine;hydrochloride

C19H24ClN3 — CID 3044688

IUPACN,N-dimethyl-3-(5-methyl-3-phenylindazol-1-yl)propan-1-amine;hydrochloride
SMILESCc1ccc2c(c1)c(-c1ccccc1)nn2CCCN(C)C.Cl
InChIInChI=1S/C19H23N3.ClH/c1-15-10-11-18-17(14-15)19(16-8-5-4-6-9-16)20-22(18)13-7-12-21(2)3;/h4-6,8-11,14H,7,12-13H2,1-3H3;1H
InChIKeySKZIUMAYOYWSNE-UHFFFAOYSA-N
MW329.88 g/mol
LogP4.39
Rot. Bonds5

About N,N-dimethyl-3-(5-methyl-3-phenylindazol-1-yl)propan-1-amine;hydrochloride

N,N-dimethyl-3-(5-methyl-3-phenylindazol-1-yl)propan-1-amine;hydrochloride (PubChem CID 3044688) has the molecular formula C19H24ClN3 and a molecular weight of 329.88 g/mol. Its IUPAC name is N,N-dimethyl-3-(5-methyl-3-phenylindazol-1-yl)propan-1-amine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-3-(5-methyl-3-phenylindazol-1-yl)propan-1-amine;hydrochloride
PubChem CID3044688
Molecular FormulaC19H24ClN3
Molecular Weight329.88 g/mol
Exact Mass329.17
IUPAC NameN,N-dimethyl-3-(5-methyl-3-phenylindazol-1-yl)propan-1-amine;hydrochloride
SMILESCc1ccc2c(c1)c(-c1ccccc1)nn2CCCN(C)C.Cl
InChIInChI=1S/C19H23N3.ClH/c1-15-10-11-18-17(14-15)19(16-8-5-4-6-9-16)20-22(18)13-7-12-21(2)3;/h4-6,8-11,14H,7,12-13H2,1-3H3;1H
InChIKeySKZIUMAYOYWSNE-UHFFFAOYSA-N
XLogP4.39
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.88
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(5-methyl-3-phenylindazol-1-yl)propan-1-amine;hydrochloride?
The IUPAC name of N,N-dimethyl-3-(5-methyl-3-phenylindazol-1-yl)propan-1-amine;hydrochloride (CID 3044688) is N,N-dimethyl-3-(5-methyl-3-phenylindazol-1-yl)propan-1-amine;hydrochloride.
What is the SMILES notation for N,N-dimethyl-3-(5-methyl-3-phenylindazol-1-yl)propan-1-amine;hydrochloride?
The canonical SMILES for N,N-dimethyl-3-(5-methyl-3-phenylindazol-1-yl)propan-1-amine;hydrochloride is Cc1ccc2c(c1)c(-c1ccccc1)nn2CCCN(C)C.Cl.
What is the InChIKey of N,N-dimethyl-3-(5-methyl-3-phenylindazol-1-yl)propan-1-amine;hydrochloride?
The InChIKey is SKZIUMAYOYWSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3.ClH/c1-15-10-11-18-17(14-15)19(16-8-5-4-6-9-16)20-22(18)13-7-12-21(2)3;/h4-6,8-11,14H,7,12-13H2,1-3H3;1H.
What are the key properties of N,N-dimethyl-3-(5-methyl-3-phenylindazol-1-yl)propan-1-amine;hydrochloride?
N,N-dimethyl-3-(5-methyl-3-phenylindazol-1-yl)propan-1-amine;hydrochloride has a molecular weight of 329.88 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(5-methyl-3-phenylindazol-1-yl)propan-1-amine;hydrochloride is sourced from PubChem (CID 3044688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).