1-(5-chloro-1-methylindol-2-yl)propan-2-amine

C12H15ClN2 — CID 82662230

IUPAC1-(5-chloro-1-methylindol-2-yl)propan-2-amine
SMILESCC(N)Cc1cc2cc(Cl)ccc2n1C
InChIInChI=1S/C12H15ClN2/c1-8(14)5-11-7-9-6-10(13)3-4-12(9)15(11)2/h3-4,6-8H,5,14H2,1-2H3
InChIKeyRORTVABFBQXYPI-UHFFFAOYSA-N
MW222.72 g/mol
LogP2.72
Rot. Bonds2

About 1-(5-chloro-1-methylindol-2-yl)propan-2-amine

1-(5-chloro-1-methylindol-2-yl)propan-2-amine (PubChem CID 82662230) has the molecular formula C12H15ClN2 and a molecular weight of 222.72 g/mol. Its IUPAC name is 1-(5-chloro-1-methylindol-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(5-chloro-1-methylindol-2-yl)propan-2-amine
PubChem CID82662230
Molecular FormulaC12H15ClN2
Molecular Weight222.72 g/mol
Exact Mass222.09
IUPAC Name1-(5-chloro-1-methylindol-2-yl)propan-2-amine
SMILESCC(N)Cc1cc2cc(Cl)ccc2n1C
InChIInChI=1S/C12H15ClN2/c1-8(14)5-11-7-9-6-10(13)3-4-12(9)15(11)2/h3-4,6-8H,5,14H2,1-2H3
InChIKeyRORTVABFBQXYPI-UHFFFAOYSA-N
XLogP2.72
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-(ethylsulfonylmethyl)-1-methylindole
CID 117176679
5-chloro-1-methyl-2-(propan-2-ylsulfonylmethyl)indole
CID 117176680
3-[(1S)-1-aminoethyl]-6-chloro-1-methylquinolin-2-one;hydrochloride
CID 118953926
5-(5-chloro-1-methylindol-2-yl)pentyl-triphenylphosphanium
CID 122600319
5-chloro-2-[(3-chlorophenoxy)methyl]-1-methylindole
CID 117176769
1-(5-chloro-1-ethylindol-2-yl)propan-2-ol
CID 117121551
N-[(5-chloro-1-methylindol-2-yl)methyl]cyclobutanamine
CID 117176590
1-(1,2-dimethylindol-5-yl)propan-2-amine
CID 117204599
5-chloro-1-methyl-2-[(2-methylphenoxy)methyl]indole
CID 117176704
(5-chloro-1-methylindol-2-yl)-triethylsilane
CID 167452826
5-chloro-1-methyl-2-[(3-methylphenoxy)methyl]indole
CID 117176751
methyl 2-amino-2-(5-chloro-1-methylindol-2-yl)acetate
CID 115072020

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1-methylindol-2-yl)propan-2-amine?
The IUPAC name of 1-(5-chloro-1-methylindol-2-yl)propan-2-amine (CID 82662230) is 1-(5-chloro-1-methylindol-2-yl)propan-2-amine.
What is the SMILES notation for 1-(5-chloro-1-methylindol-2-yl)propan-2-amine?
The canonical SMILES for 1-(5-chloro-1-methylindol-2-yl)propan-2-amine is CC(N)Cc1cc2cc(Cl)ccc2n1C.
What is the InChIKey of 1-(5-chloro-1-methylindol-2-yl)propan-2-amine?
The InChIKey is RORTVABFBQXYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2/c1-8(14)5-11-7-9-6-10(13)3-4-12(9)15(11)2/h3-4,6-8H,5,14H2,1-2H3.
What are the key properties of 1-(5-chloro-1-methylindol-2-yl)propan-2-amine?
1-(5-chloro-1-methylindol-2-yl)propan-2-amine has a molecular weight of 222.72 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1-methylindol-2-yl)propan-2-amine is sourced from PubChem (CID 82662230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).