3-(2-chloro-6-fluorophenyl)-2-(1,2-dimethylindol-3-yl)propan-1-amine

C19H20ClFN2 — CID 83976734

IUPAC3-(2-chloro-6-fluorophenyl)-2-(1,2-dimethylindol-3-yl)propan-1-amine
SMILESCc1c(C(CN)Cc2c(F)cccc2Cl)c2ccccc2n1C
InChIInChI=1S/C19H20ClFN2/c1-12-19(14-6-3-4-9-18(14)23(12)2)13(11-22)10-15-16(20)7-5-8-17(15)21/h3-9,13H,10-11,22H2,1-2H3
InChIKeyHPMJZNXJXKRHRG-UHFFFAOYSA-N
MW330.83 g/mol
LogP4.56
Rot. Bonds4

About 3-(2-chloro-6-fluorophenyl)-2-(1,2-dimethylindol-3-yl)propan-1-amine

3-(2-chloro-6-fluorophenyl)-2-(1,2-dimethylindol-3-yl)propan-1-amine (PubChem CID 83976734) has the molecular formula C19H20ClFN2 and a molecular weight of 330.83 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-2-(1,2-dimethylindol-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-2-(1,2-dimethylindol-3-yl)propan-1-amine
PubChem CID83976734
Molecular FormulaC19H20ClFN2
Molecular Weight330.83 g/mol
Exact Mass330.13
IUPAC Name3-(2-chloro-6-fluorophenyl)-2-(1,2-dimethylindol-3-yl)propan-1-amine
SMILESCc1c(C(CN)Cc2c(F)cccc2Cl)c2ccccc2n1C
InChIInChI=1S/C19H20ClFN2/c1-12-19(14-6-3-4-9-18(14)23(12)2)13(11-22)10-15-16(20)7-5-8-17(15)21/h3-9,13H,10-11,22H2,1-2H3
InChIKeyHPMJZNXJXKRHRG-UHFFFAOYSA-N
XLogP4.56
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.83
LogP ≤ 54.56
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

2,3-bis(1,2-dimethylindol-3-yl)propan-1-amine
CID 112539162
3-(2,3-dichlorophenyl)-2-(1,2-dimethylindol-3-yl)propan-1-amine
CID 112539160
2-(1,2-dimethylindol-3-yl)-3-(3-methylphenyl)propan-1-amine
CID 83976752
3-(2-chloro-6-fluorophenyl)-2-(3,5-dimethylphenyl)propan-1-amine
CID 83977027
2-(2-bromophenyl)-3-(2-chloro-6-fluorophenyl)propan-1-amine
CID 79448638
(1R)-2-amino-1-(1,2-dimethylindol-3-yl)ethanol
CID 95438701
2-(1,2-dimethylindol-3-yl)-2-methoxyethanamine
CID 82285579
3-(2-chloro-6-fluorophenyl)-2-(3,4-dimethoxyphenyl)propan-1-amine
CID 82139829
1-chloro-2-(2-chloropropyl)-3-fluorobenzene
CID 63016068
3-(2-chloro-6-fluorophenyl)-2-(2,5-dimethoxyphenyl)propan-1-amine
CID 82139834
2-(7-chloro-1,2-dimethylindol-3-yl)propan-1-amine
CID 82496910
1-[(2-chloro-6-fluorophenyl)methyl]-4-methylquinolin-2-one
CID 39767907

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-2-(1,2-dimethylindol-3-yl)propan-1-amine?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-2-(1,2-dimethylindol-3-yl)propan-1-amine (CID 83976734) is 3-(2-chloro-6-fluorophenyl)-2-(1,2-dimethylindol-3-yl)propan-1-amine.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-2-(1,2-dimethylindol-3-yl)propan-1-amine?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-2-(1,2-dimethylindol-3-yl)propan-1-amine is Cc1c(C(CN)Cc2c(F)cccc2Cl)c2ccccc2n1C.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-2-(1,2-dimethylindol-3-yl)propan-1-amine?
The InChIKey is HPMJZNXJXKRHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2/c1-12-19(14-6-3-4-9-18(14)23(12)2)13(11-22)10-15-16(20)7-5-8-17(15)21/h3-9,13H,10-11,22H2,1-2H3.
What are the key properties of 3-(2-chloro-6-fluorophenyl)-2-(1,2-dimethylindol-3-yl)propan-1-amine?
3-(2-chloro-6-fluorophenyl)-2-(1,2-dimethylindol-3-yl)propan-1-amine has a molecular weight of 330.83 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-2-(1,2-dimethylindol-3-yl)propan-1-amine is sourced from PubChem (CID 83976734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).