(4,6-dichloro-2-ethyl-1H-indol-3-yl)methanamine

C11H12Cl2N2 — CID 83678500

IUPAC(4,6-dichloro-2-ethyl-1H-indol-3-yl)methanamine
SMILESCCc1[nH]c2cc(Cl)cc(Cl)c2c1CN
InChIInChI=1S/C11H12Cl2N2/c1-2-9-7(5-14)11-8(13)3-6(12)4-10(11)15-9/h3-4,15H,2,5,14H2,1H3
InChIKeyGHACRDUUDIMPHI-UHFFFAOYSA-N
MW243.14 g/mol
LogP3.50
Rot. Bonds2

About (4,6-dichloro-2-ethyl-1H-indol-3-yl)methanamine

(4,6-dichloro-2-ethyl-1H-indol-3-yl)methanamine (PubChem CID 83678500) has the molecular formula C11H12Cl2N2 and a molecular weight of 243.14 g/mol. Its IUPAC name is (4,6-dichloro-2-ethyl-1H-indol-3-yl)methanamine.

Molecular Properties

Compound Name(4,6-dichloro-2-ethyl-1H-indol-3-yl)methanamine
PubChem CID83678500
Molecular FormulaC11H12Cl2N2
Molecular Weight243.14 g/mol
Exact Mass242.04
IUPAC Name(4,6-dichloro-2-ethyl-1H-indol-3-yl)methanamine
SMILESCCc1[nH]c2cc(Cl)cc(Cl)c2c1CN
InChIInChI=1S/C11H12Cl2N2/c1-2-9-7(5-14)11-8(13)3-6(12)4-10(11)15-9/h3-4,15H,2,5,14H2,1H3
InChIKeyGHACRDUUDIMPHI-UHFFFAOYSA-N
XLogP3.50
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.14
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(2,4,6-trichloro-1H-indol-3-yl)methanol
CID 82269577
4-[4,6-dichloro-2-(4-methylphenyl)-1H-indol-3-yl]butan-1-amine
CID 3919387
ethyl 3-[2-[2-(aminomethyl)phenyl]ethyl]-4,6-dichloro-1H-indole-2-carboxylate
CID 174286195
(5-bromo-2-ethyl-1H-indol-3-yl)methanamine
CID 83678398
4-[4,6-dichloro-2-(5-methylthiophen-2-yl)-1H-indol-3-yl]butan-1-amine
CID 4537294
ethyl 3-[(benzylamino)methyl]-4,6-dichloro-1H-indole-2-carboxylate
CID 10926924
3-(3-bromo-4,6-dichloro-1H-indol-2-yl)propanoic acid
CID 54049187
2-[4,6-dichloro-2-(4-methylphenyl)-1H-indol-3-yl]acetic acid
CID 5138090
4-[4,6-dichloro-2-(2,4-dimethylphenyl)-1H-indol-3-yl]butan-1-amine
CID 5183042
4,6-dichloro-2-ethyl-1H-indole
CID 20828571
4,6-dichloro-3-[(2-methylpropanoylamino)methyl]-1H-indole-2-carboxylic acid
CID 82214061
5-chloro-2-ethyl-7-fluoro-3-methyl-1H-quinolin-4-one
CID 107370200

Frequently Asked Questions

What is the IUPAC name of (4,6-dichloro-2-ethyl-1H-indol-3-yl)methanamine?
The IUPAC name of (4,6-dichloro-2-ethyl-1H-indol-3-yl)methanamine (CID 83678500) is (4,6-dichloro-2-ethyl-1H-indol-3-yl)methanamine.
What is the SMILES notation for (4,6-dichloro-2-ethyl-1H-indol-3-yl)methanamine?
The canonical SMILES for (4,6-dichloro-2-ethyl-1H-indol-3-yl)methanamine is CCc1[nH]c2cc(Cl)cc(Cl)c2c1CN.
What is the InChIKey of (4,6-dichloro-2-ethyl-1H-indol-3-yl)methanamine?
The InChIKey is GHACRDUUDIMPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2/c1-2-9-7(5-14)11-8(13)3-6(12)4-10(11)15-9/h3-4,15H,2,5,14H2,1H3.
What are the key properties of (4,6-dichloro-2-ethyl-1H-indol-3-yl)methanamine?
(4,6-dichloro-2-ethyl-1H-indol-3-yl)methanamine has a molecular weight of 243.14 g/mol, XLogP of 3.50, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dichloro-2-ethyl-1H-indol-3-yl)methanamine is sourced from PubChem (CID 83678500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).