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

C13H17ClN2 — CID 82496941

IUPAC3-(6-chloro-2,3-dimethylindol-1-yl)propan-1-amine
SMILESCc1c(C)n(CCCN)c2cc(Cl)ccc12
InChIInChI=1S/C13H17ClN2/c1-9-10(2)16(7-3-6-15)13-8-11(14)4-5-12(9)13/h4-5,8H,3,6-7,15H2,1-2H3
InChIKeyDSBTWFSTHKFNIJ-UHFFFAOYSA-N
MW236.75 g/mol
LogP3.26
Rot. Bonds3

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

3-(6-chloro-2,3-dimethylindol-1-yl)propan-1-amine (PubChem CID 82496941) has the molecular formula C13H17ClN2 and a molecular weight of 236.75 g/mol. Its IUPAC name is 3-(6-chloro-2,3-dimethylindol-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(6-chloro-2,3-dimethylindol-1-yl)propan-1-amine
PubChem CID82496941
Molecular FormulaC13H17ClN2
Molecular Weight236.75 g/mol
Exact Mass236.11
IUPAC Name3-(6-chloro-2,3-dimethylindol-1-yl)propan-1-amine
SMILESCc1c(C)n(CCCN)c2cc(Cl)ccc12
InChIInChI=1S/C13H17ClN2/c1-9-10(2)16(7-3-6-15)13-8-11(14)4-5-12(9)13/h4-5,8H,3,6-7,15H2,1-2H3
InChIKeyDSBTWFSTHKFNIJ-UHFFFAOYSA-N
XLogP3.26
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.75
LogP ≤ 53.26
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-(6-chloro-5-methoxy-2,3-dimethylindol-1-yl)propan-1-amine
CID 82501761
3-(6-chloro-2-methylindol-1-yl)propan-1-amine
CID 82494548
(6-chloro-1,3-dimethylindol-2-yl)methanamine
CID 84621214
3-(6-chloro-3-methylindazol-2-yl)propan-1-amine
CID 84725364
(6-chloro-1,2-dimethylindol-3-yl)methanamine
CID 82492537
2,6-dichloro-1,3-dimethylindole
CID 117127818
2-(6-chloro-1,3-dimethylindol-2-yl)propan-1-amine
CID 84628715
3-(3,6-dimethylcarbazol-9-yl)propan-1-amine
CID 58183726
3-(3-butyl-6-chloroindol-1-yl)propan-1-amine
CID 83948692
3-(6-chloro-1,2-dimethylindol-3-yl)-3-methylbutan-1-amine
CID 84639811
1-butyl-2,6-dichloroindole-3-carbaldehyde
CID 82269726
2-(1,2,3-trimethylindol-6-yl)ethanamine
CID 82397040

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-2,3-dimethylindol-1-yl)propan-1-amine?
The IUPAC name of 3-(6-chloro-2,3-dimethylindol-1-yl)propan-1-amine (CID 82496941) is 3-(6-chloro-2,3-dimethylindol-1-yl)propan-1-amine.
What is the SMILES notation for 3-(6-chloro-2,3-dimethylindol-1-yl)propan-1-amine?
The canonical SMILES for 3-(6-chloro-2,3-dimethylindol-1-yl)propan-1-amine is Cc1c(C)n(CCCN)c2cc(Cl)ccc12.
What is the InChIKey of 3-(6-chloro-2,3-dimethylindol-1-yl)propan-1-amine?
The InChIKey is DSBTWFSTHKFNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2/c1-9-10(2)16(7-3-6-15)13-8-11(14)4-5-12(9)13/h4-5,8H,3,6-7,15H2,1-2H3.
What are the key properties of 3-(6-chloro-2,3-dimethylindol-1-yl)propan-1-amine?
3-(6-chloro-2,3-dimethylindol-1-yl)propan-1-amine has a molecular weight of 236.75 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-2,3-dimethylindol-1-yl)propan-1-amine is sourced from PubChem (CID 82496941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).