2-(6-chloro-3-methyl-1H-indol-2-yl)propan-2-amine

C12H15ClN2 — CID 84624306

IUPAC2-(6-chloro-3-methyl-1H-indol-2-yl)propan-2-amine
SMILESCc1c(C(C)(C)N)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C12H15ClN2/c1-7-9-5-4-8(13)6-10(9)15-11(7)12(2,3)14/h4-6,15H,14H2,1-3H3
InChIKeyYTMOIRVAKXYAQZ-UHFFFAOYSA-N
MW222.72 g/mol
LogP3.32
Rot. Bonds1

About 2-(6-chloro-3-methyl-1H-indol-2-yl)propan-2-amine

2-(6-chloro-3-methyl-1H-indol-2-yl)propan-2-amine (PubChem CID 84624306) has the molecular formula C12H15ClN2 and a molecular weight of 222.72 g/mol. Its IUPAC name is 2-(6-chloro-3-methyl-1H-indol-2-yl)propan-2-amine.

Molecular Properties

Compound Name2-(6-chloro-3-methyl-1H-indol-2-yl)propan-2-amine
PubChem CID84624306
Molecular FormulaC12H15ClN2
Molecular Weight222.72 g/mol
Exact Mass222.09
IUPAC Name2-(6-chloro-3-methyl-1H-indol-2-yl)propan-2-amine
SMILESCc1c(C(C)(C)N)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C12H15ClN2/c1-7-9-5-4-8(13)6-10(9)15-11(7)12(2,3)14/h4-6,15H,14H2,1-3H3
InChIKeyYTMOIRVAKXYAQZ-UHFFFAOYSA-N
XLogP3.32
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-6-chloro-3-methyl-1H-indole
CID 84631725
2-(6-chloro-2-methyl-1H-indol-3-yl)ethanamine
CID 28806617
2-(6-chloro-2-methyl-1H-indol-3-yl)-2-methylpropanoic acid
CID 82278454
7-chloro-4-methyl-9H-carbazol-2-amine
CID 174859290
5-chloro-3-methyl-1H-indole-2-carboxamide
CID 14567452
3-bromo-6-chloro-2-cyclopropyl-1H-indole
CID 82379195
2-tert-butyl-5-chloro-1H-indole-3-thiol
CID 15122877
2-(4-chloro-2-methylphenyl)propan-2-amine
CID 82280968
7-chloro-3-methyl-4-oxo-1H-quinoline-2-carboxylic acid
CID 82243483
7-chloro-3-hydroxy-2-methyl-1H-quinolin-4-one
CID 70376894
6-chloro-2-(6-chloro-3-oxido-1H-indol-2-yl)-1H-indol-3-olate
CID 101005801
6-chloro-3-(3,3-dimethylbut-1-enyl)-1H-indol-2-ol
CID 90846710

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-methyl-1H-indol-2-yl)propan-2-amine?
The IUPAC name of 2-(6-chloro-3-methyl-1H-indol-2-yl)propan-2-amine (CID 84624306) is 2-(6-chloro-3-methyl-1H-indol-2-yl)propan-2-amine.
What is the SMILES notation for 2-(6-chloro-3-methyl-1H-indol-2-yl)propan-2-amine?
The canonical SMILES for 2-(6-chloro-3-methyl-1H-indol-2-yl)propan-2-amine is Cc1c(C(C)(C)N)[nH]c2cc(Cl)ccc12.
What is the InChIKey of 2-(6-chloro-3-methyl-1H-indol-2-yl)propan-2-amine?
The InChIKey is YTMOIRVAKXYAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2/c1-7-9-5-4-8(13)6-10(9)15-11(7)12(2,3)14/h4-6,15H,14H2,1-3H3.
What are the key properties of 2-(6-chloro-3-methyl-1H-indol-2-yl)propan-2-amine?
2-(6-chloro-3-methyl-1H-indol-2-yl)propan-2-amine has a molecular weight of 222.72 g/mol, XLogP of 3.32, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-methyl-1H-indol-2-yl)propan-2-amine is sourced from PubChem (CID 84624306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).