3-(2,3-dichlorophenyl)-2-(1,2-dimethylindol-3-yl)propan-1-amine

C19H20Cl2N2 — CID 112539160

IUPAC3-(2,3-dichlorophenyl)-2-(1,2-dimethylindol-3-yl)propan-1-amine
SMILESCc1c(C(CN)Cc2cccc(Cl)c2Cl)c2ccccc2n1C
InChIInChI=1S/C19H20Cl2N2/c1-12-18(15-7-3-4-9-17(15)23(12)2)14(11-22)10-13-6-5-8-16(20)19(13)21/h3-9,14H,10-11,22H2,1-2H3
InChIKeySEXYLGDRUCTSCT-UHFFFAOYSA-N
MW347.29 g/mol
LogP5.08
Rot. Bonds4

About 3-(2,3-dichlorophenyl)-2-(1,2-dimethylindol-3-yl)propan-1-amine

3-(2,3-dichlorophenyl)-2-(1,2-dimethylindol-3-yl)propan-1-amine (PubChem CID 112539160) has the molecular formula C19H20Cl2N2 and a molecular weight of 347.29 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-2-(1,2-dimethylindol-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-2-(1,2-dimethylindol-3-yl)propan-1-amine
PubChem CID112539160
Molecular FormulaC19H20Cl2N2
Molecular Weight347.29 g/mol
Exact Mass346.10
IUPAC Name3-(2,3-dichlorophenyl)-2-(1,2-dimethylindol-3-yl)propan-1-amine
SMILESCc1c(C(CN)Cc2cccc(Cl)c2Cl)c2ccccc2n1C
InChIInChI=1S/C19H20Cl2N2/c1-12-18(15-7-3-4-9-17(15)23(12)2)14(11-22)10-13-6-5-8-16(20)19(13)21/h3-9,14H,10-11,22H2,1-2H3
InChIKeySEXYLGDRUCTSCT-UHFFFAOYSA-N
XLogP5.08
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.29
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

3-(2-chloro-6-fluorophenyl)-2-(1,2-dimethylindol-3-yl)propan-1-amine
CID 83976734
2,3-bis(1,2-dimethylindol-3-yl)propan-1-amine
CID 112539162
2-(1,2-dimethylindol-3-yl)-3-(3-methylphenyl)propan-1-amine
CID 83976752
2-(2,3-dichlorophenyl)-3-(1-methylindol-3-yl)propan-1-amine
CID 83975787
(1R)-2-amino-1-(1,2-dimethylindol-3-yl)ethanol
CID 95438701
2-(1,2-dimethylindol-3-yl)-3-(3-propoxyphenyl)propan-1-amine
CID 83976755
2-(1,2-dimethylindol-3-yl)-2-methoxyethanamine
CID 82285579
2-[(2,3-dichlorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine
CID 107309626
2-(2,3-dichlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 107311802
2-[(2-chlorophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine
CID 107309628
2-(7-chloro-1,2-dimethylindol-3-yl)propan-1-amine
CID 82496910
2-(1,2-dimethylindol-3-yl)-2-(3-methylcyclohexyl)ethanamine
CID 83976727

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)-2-(1,2-dimethylindol-3-yl)propan-1-amine?
The IUPAC name of 3-(2,3-dichlorophenyl)-2-(1,2-dimethylindol-3-yl)propan-1-amine (CID 112539160) is 3-(2,3-dichlorophenyl)-2-(1,2-dimethylindol-3-yl)propan-1-amine.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-2-(1,2-dimethylindol-3-yl)propan-1-amine?
The canonical SMILES for 3-(2,3-dichlorophenyl)-2-(1,2-dimethylindol-3-yl)propan-1-amine is Cc1c(C(CN)Cc2cccc(Cl)c2Cl)c2ccccc2n1C.
What is the InChIKey of 3-(2,3-dichlorophenyl)-2-(1,2-dimethylindol-3-yl)propan-1-amine?
The InChIKey is SEXYLGDRUCTSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2/c1-12-18(15-7-3-4-9-17(15)23(12)2)14(11-22)10-13-6-5-8-16(20)19(13)21/h3-9,14H,10-11,22H2,1-2H3.
What are the key properties of 3-(2,3-dichlorophenyl)-2-(1,2-dimethylindol-3-yl)propan-1-amine?
3-(2,3-dichlorophenyl)-2-(1,2-dimethylindol-3-yl)propan-1-amine has a molecular weight of 347.29 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)-2-(1,2-dimethylindol-3-yl)propan-1-amine is sourced from PubChem (CID 112539160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).