1-(4,7-dichloro-2-methyl-1H-indol-3-yl)ethanamine

C11H12Cl2N2 — CID 83868295

IUPAC1-(4,7-dichloro-2-methyl-1H-indol-3-yl)ethanamine
SMILESCc1[nH]c2c(Cl)ccc(Cl)c2c1C(C)N
InChIInChI=1S/C11H12Cl2N2/c1-5(14)9-6(2)15-11-8(13)4-3-7(12)10(9)11/h3-5,15H,14H2,1-2H3
InChIKeyDPGHODQWFKJWAS-UHFFFAOYSA-N
MW243.14 g/mol
LogP3.80
Rot. Bonds1

About 1-(4,7-dichloro-2-methyl-1H-indol-3-yl)ethanamine

1-(4,7-dichloro-2-methyl-1H-indol-3-yl)ethanamine (PubChem CID 83868295) has the molecular formula C11H12Cl2N2 and a molecular weight of 243.14 g/mol. Its IUPAC name is 1-(4,7-dichloro-2-methyl-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(4,7-dichloro-2-methyl-1H-indol-3-yl)ethanamine
PubChem CID83868295
Molecular FormulaC11H12Cl2N2
Molecular Weight243.14 g/mol
Exact Mass242.04
IUPAC Name1-(4,7-dichloro-2-methyl-1H-indol-3-yl)ethanamine
SMILESCc1[nH]c2c(Cl)ccc(Cl)c2c1C(C)N
InChIInChI=1S/C11H12Cl2N2/c1-5(14)9-6(2)15-11-8(13)4-3-7(12)10(9)11/h3-5,15H,14H2,1-2H3
InChIKeyDPGHODQWFKJWAS-UHFFFAOYSA-N
XLogP3.80
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.14
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chloro-2,7-dimethyl-1H-indol-3-yl)-N-methylethanamine
CID 83868291
1-(7-chloro-4-methoxy-2-methyl-1H-indol-3-yl)propan-2-amine
CID 82499491
2-(1-aminoethyl)-4-chloro-3-methylphenol
CID 84660349
1-(4-chloro-1,2,7-trimethylindol-3-yl)ethanamine
CID 83868316
1-(2-methyl-1H-benzo[g]indol-3-yl)ethanamine
CID 105482293
7,8-dichloro-2-methyl-3-propan-2-yl-1H-quinolin-4-one
CID 62914964
(7-chloro-4-methoxy-2-methyl-1H-indol-3-yl)methanamine
CID 82494649
3-(1-aminoethyl)-2-methyl-1H-indole-4-carbonitrile
CID 105452210
1-(6-chloro-7-methyl-1H-indol-2-yl)ethanamine
CID 83868177
5,8-dichloro-2-methyl-1H-quinazoline-4-thione
CID 107051744
1-(6-chloro-2,3-difluorophenyl)ethanamine
CID 130512093
(1R)-1-(3-chloro-2,6-difluorophenyl)ethanamine
CID 130707834

Frequently Asked Questions

What is the IUPAC name of 1-(4,7-dichloro-2-methyl-1H-indol-3-yl)ethanamine?
The IUPAC name of 1-(4,7-dichloro-2-methyl-1H-indol-3-yl)ethanamine (CID 83868295) is 1-(4,7-dichloro-2-methyl-1H-indol-3-yl)ethanamine.
What is the SMILES notation for 1-(4,7-dichloro-2-methyl-1H-indol-3-yl)ethanamine?
The canonical SMILES for 1-(4,7-dichloro-2-methyl-1H-indol-3-yl)ethanamine is Cc1[nH]c2c(Cl)ccc(Cl)c2c1C(C)N.
What is the InChIKey of 1-(4,7-dichloro-2-methyl-1H-indol-3-yl)ethanamine?
The InChIKey is DPGHODQWFKJWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2/c1-5(14)9-6(2)15-11-8(13)4-3-7(12)10(9)11/h3-5,15H,14H2,1-2H3.
What are the key properties of 1-(4,7-dichloro-2-methyl-1H-indol-3-yl)ethanamine?
1-(4,7-dichloro-2-methyl-1H-indol-3-yl)ethanamine has a molecular weight of 243.14 g/mol, XLogP of 3.80, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,7-dichloro-2-methyl-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 83868295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).