1-(6-chloro-1,7-dimethylindol-3-yl)ethanamine

C12H15ClN2 — CID 83868421

IUPAC1-(6-chloro-1,7-dimethylindol-3-yl)ethanamine
SMILESCc1c(Cl)ccc2c(C(C)N)cn(C)c12
InChIInChI=1S/C12H15ClN2/c1-7-11(13)5-4-9-10(8(2)14)6-15(3)12(7)9/h4-6,8H,14H2,1-3H3
InChIKeyMSBJKHXVSAGRNZ-UHFFFAOYSA-N
MW222.72 g/mol
LogP3.16
Rot. Bonds1

About 1-(6-chloro-1,7-dimethylindol-3-yl)ethanamine

1-(6-chloro-1,7-dimethylindol-3-yl)ethanamine (PubChem CID 83868421) has the molecular formula C12H15ClN2 and a molecular weight of 222.72 g/mol. Its IUPAC name is 1-(6-chloro-1,7-dimethylindol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(6-chloro-1,7-dimethylindol-3-yl)ethanamine
PubChem CID83868421
Molecular FormulaC12H15ClN2
Molecular Weight222.72 g/mol
Exact Mass222.09
IUPAC Name1-(6-chloro-1,7-dimethylindol-3-yl)ethanamine
SMILESCc1c(Cl)ccc2c(C(C)N)cn(C)c12
InChIInChI=1S/C12H15ClN2/c1-7-11(13)5-4-9-10(8(2)14)6-15(3)12(7)9/h4-6,8H,14H2,1-3H3
InChIKeyMSBJKHXVSAGRNZ-UHFFFAOYSA-N
XLogP3.16
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-chloro-1,7-dimethylindol-3-yl)-N-methylethanamine
CID 83868417
(1R)-1-(6-chloro-1-methylindol-3-yl)ethanamine
CID 95433151
3-methyl-2-(1,6,7-trimethylindol-3-yl)butan-1-amine
CID 82497738
2-[1-(2-aminoethyl)-6-chloro-7-methylindol-3-yl]ethanamine
CID 83948657
1-(3-chloro-2-methylphenyl)ethanamine;hydrochloride
CID 154878722
1-(7-chloro-8-methyl-2-propan-2-ylquinolin-4-yl)ethanamine
CID 82449539
1-[1-(2-aminoethyl)-6,7-dichloroindol-3-yl]ethanol
CID 83944817
2-[6-chloro-1-(2-hydroxyethyl)-7-methylindol-3-yl]acetic acid
CID 83945122
3-(6-chloro-1-ethyl-7-methylindol-3-yl)propan-1-amine
CID 83948634
3-(6-chloro-7-methyl-3-propylindol-1-yl)propan-1-ol
CID 83945161
(6,7-dichloro-1,3-dimethylindol-2-yl)methanamine
CID 83868326
1-[2,6-dichloro-7-methyl-1-(2-methylpropyl)indol-3-yl]ethanone
CID 82269459

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-1,7-dimethylindol-3-yl)ethanamine?
The IUPAC name of 1-(6-chloro-1,7-dimethylindol-3-yl)ethanamine (CID 83868421) is 1-(6-chloro-1,7-dimethylindol-3-yl)ethanamine.
What is the SMILES notation for 1-(6-chloro-1,7-dimethylindol-3-yl)ethanamine?
The canonical SMILES for 1-(6-chloro-1,7-dimethylindol-3-yl)ethanamine is Cc1c(Cl)ccc2c(C(C)N)cn(C)c12.
What is the InChIKey of 1-(6-chloro-1,7-dimethylindol-3-yl)ethanamine?
The InChIKey is MSBJKHXVSAGRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2/c1-7-11(13)5-4-9-10(8(2)14)6-15(3)12(7)9/h4-6,8H,14H2,1-3H3.
What are the key properties of 1-(6-chloro-1,7-dimethylindol-3-yl)ethanamine?
1-(6-chloro-1,7-dimethylindol-3-yl)ethanamine has a molecular weight of 222.72 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-1,7-dimethylindol-3-yl)ethanamine is sourced from PubChem (CID 83868421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).