3-(2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-yl)-N-[(2-methylphenyl)methyl]propan-1-amine;hydrochloride

C20H26ClN3 — CID 67141912

IUPAC3-(2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-yl)-N-[(2-methylphenyl)methyl]propan-1-amine;hydrochloride
SMILESCc1ccccc1CNCCCc1nccc2c(C)c(C)[nH]c12.Cl
InChIInChI=1S/C20H25N3.ClH/c1-14-7-4-5-8-17(14)13-21-11-6-9-19-20-18(10-12-22-19)15(2)16(3)23-20;/h4-5,7-8,10,12,21,23H,6,9,11,13H2,1-3H3;1H
InChIKeyCNXHJKKJCPDHBM-UHFFFAOYSA-N
MW343.90 g/mol
LogP4.63
Rot. Bonds6

About 3-(2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-yl)-N-[(2-methylphenyl)methyl]propan-1-amine;hydrochloride

3-(2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-yl)-N-[(2-methylphenyl)methyl]propan-1-amine;hydrochloride (PubChem CID 67141912) has the molecular formula C20H26ClN3 and a molecular weight of 343.90 g/mol. Its IUPAC name is 3-(2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-yl)-N-[(2-methylphenyl)methyl]propan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-yl)-N-[(2-methylphenyl)methyl]propan-1-amine;hydrochloride
PubChem CID67141912
Molecular FormulaC20H26ClN3
Molecular Weight343.90 g/mol
Exact Mass343.18
IUPAC Name3-(2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-yl)-N-[(2-methylphenyl)methyl]propan-1-amine;hydrochloride
SMILESCc1ccccc1CNCCCc1nccc2c(C)c(C)[nH]c12.Cl
InChIInChI=1S/C20H25N3.ClH/c1-14-7-4-5-8-17(14)13-21-11-6-9-19-20-18(10-12-22-19)15(2)16(3)23-20;/h4-5,7-8,10,12,21,23H,6,9,11,13H2,1-3H3;1H
InChIKeyCNXHJKKJCPDHBM-UHFFFAOYSA-N
XLogP4.63
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.90
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-yl)-N-[(2-methylphenyl)methyl]propan-1-amine;hydrochloride?
The IUPAC name of 3-(2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-yl)-N-[(2-methylphenyl)methyl]propan-1-amine;hydrochloride (CID 67141912) is 3-(2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-yl)-N-[(2-methylphenyl)methyl]propan-1-amine;hydrochloride.
What is the SMILES notation for 3-(2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-yl)-N-[(2-methylphenyl)methyl]propan-1-amine;hydrochloride?
The canonical SMILES for 3-(2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-yl)-N-[(2-methylphenyl)methyl]propan-1-amine;hydrochloride is Cc1ccccc1CNCCCc1nccc2c(C)c(C)[nH]c12.Cl.
What is the InChIKey of 3-(2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-yl)-N-[(2-methylphenyl)methyl]propan-1-amine;hydrochloride?
The InChIKey is CNXHJKKJCPDHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3.ClH/c1-14-7-4-5-8-17(14)13-21-11-6-9-19-20-18(10-12-22-19)15(2)16(3)23-20;/h4-5,7-8,10,12,21,23H,6,9,11,13H2,1-3H3;1H.
What are the key properties of 3-(2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-yl)-N-[(2-methylphenyl)methyl]propan-1-amine;hydrochloride?
3-(2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-yl)-N-[(2-methylphenyl)methyl]propan-1-amine;hydrochloride has a molecular weight of 343.90 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-yl)-N-[(2-methylphenyl)methyl]propan-1-amine;hydrochloride is sourced from PubChem (CID 67141912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).