2,3-dimethyl-1-[(3-methylphenyl)methyl]pyrrolo[2,3-c]pyridin-4-amine;hydrochloride

C17H20ClN3 — CID 162323624

IUPAC2,3-dimethyl-1-[(3-methylphenyl)methyl]pyrrolo[2,3-c]pyridin-4-amine;hydrochloride
SMILESCc1cccc(Cn2c(C)c(C)c3c(N)cncc32)c1.Cl
InChIInChI=1S/C17H19N3.ClH/c1-11-5-4-6-14(7-11)10-20-13(3)12(2)17-15(18)8-19-9-16(17)20;/h4-9H,10,18H2,1-3H3;1H
InChIKeyJZSJYPQZRXQQQN-UHFFFAOYSA-N
MW301.82 g/mol
LogP4.01
Rot. Bonds2

About 2,3-dimethyl-1-[(3-methylphenyl)methyl]pyrrolo[2,3-c]pyridin-4-amine;hydrochloride

2,3-dimethyl-1-[(3-methylphenyl)methyl]pyrrolo[2,3-c]pyridin-4-amine;hydrochloride (PubChem CID 162323624) has the molecular formula C17H20ClN3 and a molecular weight of 301.82 g/mol. Its IUPAC name is 2,3-dimethyl-1-[(3-methylphenyl)methyl]pyrrolo[2,3-c]pyridin-4-amine;hydrochloride.

Molecular Properties

Compound Name2,3-dimethyl-1-[(3-methylphenyl)methyl]pyrrolo[2,3-c]pyridin-4-amine;hydrochloride
PubChem CID162323624
Molecular FormulaC17H20ClN3
Molecular Weight301.82 g/mol
Exact Mass301.13
IUPAC Name2,3-dimethyl-1-[(3-methylphenyl)methyl]pyrrolo[2,3-c]pyridin-4-amine;hydrochloride
SMILESCc1cccc(Cn2c(C)c(C)c3c(N)cncc32)c1.Cl
InChIInChI=1S/C17H19N3.ClH/c1-11-5-4-6-14(7-11)10-20-13(3)12(2)17-15(18)8-19-9-16(17)20;/h4-9H,10,18H2,1-3H3;1H
InChIKeyJZSJYPQZRXQQQN-UHFFFAOYSA-N
XLogP4.01
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-[(3-methylphenyl)methyl]pyrrolo[2,3-c]pyridin-4-amine;hydrochloride?
The IUPAC name of 2,3-dimethyl-1-[(3-methylphenyl)methyl]pyrrolo[2,3-c]pyridin-4-amine;hydrochloride (CID 162323624) is 2,3-dimethyl-1-[(3-methylphenyl)methyl]pyrrolo[2,3-c]pyridin-4-amine;hydrochloride.
What is the SMILES notation for 2,3-dimethyl-1-[(3-methylphenyl)methyl]pyrrolo[2,3-c]pyridin-4-amine;hydrochloride?
The canonical SMILES for 2,3-dimethyl-1-[(3-methylphenyl)methyl]pyrrolo[2,3-c]pyridin-4-amine;hydrochloride is Cc1cccc(Cn2c(C)c(C)c3c(N)cncc32)c1.Cl.
What is the InChIKey of 2,3-dimethyl-1-[(3-methylphenyl)methyl]pyrrolo[2,3-c]pyridin-4-amine;hydrochloride?
The InChIKey is JZSJYPQZRXQQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3.ClH/c1-11-5-4-6-14(7-11)10-20-13(3)12(2)17-15(18)8-19-9-16(17)20;/h4-9H,10,18H2,1-3H3;1H.
What are the key properties of 2,3-dimethyl-1-[(3-methylphenyl)methyl]pyrrolo[2,3-c]pyridin-4-amine;hydrochloride?
2,3-dimethyl-1-[(3-methylphenyl)methyl]pyrrolo[2,3-c]pyridin-4-amine;hydrochloride has a molecular weight of 301.82 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-[(3-methylphenyl)methyl]pyrrolo[2,3-c]pyridin-4-amine;hydrochloride is sourced from PubChem (CID 162323624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).