3,3-dimethyl-N-phenyl-1,2-dihydropyrrolo[3,2-c]pyridin-6-amine;hydrochloride

C15H18ClN3 — CID 70981570

IUPAC3,3-dimethyl-N-phenyl-1,2-dihydropyrrolo[3,2-c]pyridin-6-amine;hydrochloride
SMILESCC1(C)CNc2cc(Nc3ccccc3)ncc21.Cl
InChIInChI=1S/C15H17N3.ClH/c1-15(2)10-17-13-8-14(16-9-12(13)15)18-11-6-4-3-5-7-11;/h3-9,17H,10H2,1-2H3,(H,16,18);1H
InChIKeyAPBQAMZGYCPIDR-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.95
Rot. Bonds2

About 3,3-dimethyl-N-phenyl-1,2-dihydropyrrolo[3,2-c]pyridin-6-amine;hydrochloride

3,3-dimethyl-N-phenyl-1,2-dihydropyrrolo[3,2-c]pyridin-6-amine;hydrochloride (PubChem CID 70981570) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is 3,3-dimethyl-N-phenyl-1,2-dihydropyrrolo[3,2-c]pyridin-6-amine;hydrochloride.

Molecular Properties

Compound Name3,3-dimethyl-N-phenyl-1,2-dihydropyrrolo[3,2-c]pyridin-6-amine;hydrochloride
PubChem CID70981570
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name3,3-dimethyl-N-phenyl-1,2-dihydropyrrolo[3,2-c]pyridin-6-amine;hydrochloride
SMILESCC1(C)CNc2cc(Nc3ccccc3)ncc21.Cl
InChIInChI=1S/C15H17N3.ClH/c1-15(2)10-17-13-8-14(16-9-12(13)15)18-11-6-4-3-5-7-11;/h3-9,17H,10H2,1-2H3,(H,16,18);1H
InChIKeyAPBQAMZGYCPIDR-UHFFFAOYSA-N
XLogP3.95
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 83053
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CID 2366458
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CID 589729
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CID 44547268
CID 44547268
CID 170513
CID 170513
CID 44393091
CID 44393091
CID 44393092
CID 44393092
CID 975588
CID 975588
CID 183269
CID 183269
CID 183273
CID 183273
CID 183275
CID 183275

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-phenyl-1,2-dihydropyrrolo[3,2-c]pyridin-6-amine;hydrochloride?
The IUPAC name of 3,3-dimethyl-N-phenyl-1,2-dihydropyrrolo[3,2-c]pyridin-6-amine;hydrochloride (CID 70981570) is 3,3-dimethyl-N-phenyl-1,2-dihydropyrrolo[3,2-c]pyridin-6-amine;hydrochloride.
What is the SMILES notation for 3,3-dimethyl-N-phenyl-1,2-dihydropyrrolo[3,2-c]pyridin-6-amine;hydrochloride?
The canonical SMILES for 3,3-dimethyl-N-phenyl-1,2-dihydropyrrolo[3,2-c]pyridin-6-amine;hydrochloride is CC1(C)CNc2cc(Nc3ccccc3)ncc21.Cl.
What is the InChIKey of 3,3-dimethyl-N-phenyl-1,2-dihydropyrrolo[3,2-c]pyridin-6-amine;hydrochloride?
The InChIKey is APBQAMZGYCPIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3.ClH/c1-15(2)10-17-13-8-14(16-9-12(13)15)18-11-6-4-3-5-7-11;/h3-9,17H,10H2,1-2H3,(H,16,18);1H.
What are the key properties of 3,3-dimethyl-N-phenyl-1,2-dihydropyrrolo[3,2-c]pyridin-6-amine;hydrochloride?
3,3-dimethyl-N-phenyl-1,2-dihydropyrrolo[3,2-c]pyridin-6-amine;hydrochloride has a molecular weight of 275.78 g/mol, XLogP of 3.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-phenyl-1,2-dihydropyrrolo[3,2-c]pyridin-6-amine;hydrochloride is sourced from PubChem (CID 70981570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).