6,7-dichloro-N-(2-fluoroethyl)-3-methyl-1H-indol-4-amine

C11H11Cl2FN2 — CID 170610128

IUPAC6,7-dichloro-N-(2-fluoroethyl)-3-methyl-1H-indol-4-amine
SMILESCc1c[nH]c2c(Cl)c(Cl)cc(NCCF)c12
InChIInChI=1S/C11H11Cl2FN2/c1-6-5-16-11-9(6)8(15-3-2-14)4-7(12)10(11)13/h4-5,15-16H,2-3H2,1H3
InChIKeyCGQYXTIQXZCLRB-UHFFFAOYSA-N
MW261.13 g/mol
LogP4.16
Rot. Bonds3

About 6,7-dichloro-N-(2-fluoroethyl)-3-methyl-1H-indol-4-amine

6,7-dichloro-N-(2-fluoroethyl)-3-methyl-1H-indol-4-amine (PubChem CID 170610128) has the molecular formula C11H11Cl2FN2 and a molecular weight of 261.13 g/mol. Its IUPAC name is 6,7-dichloro-N-(2-fluoroethyl)-3-methyl-1H-indol-4-amine.

Molecular Properties

Compound Name6,7-dichloro-N-(2-fluoroethyl)-3-methyl-1H-indol-4-amine
PubChem CID170610128
Molecular FormulaC11H11Cl2FN2
Molecular Weight261.13 g/mol
Exact Mass260.03
IUPAC Name6,7-dichloro-N-(2-fluoroethyl)-3-methyl-1H-indol-4-amine
SMILESCc1c[nH]c2c(Cl)c(Cl)cc(NCCF)c12
InChIInChI=1S/C11H11Cl2FN2/c1-6-5-16-11-9(6)8(15-3-2-14)4-7(12)10(11)13/h4-5,15-16H,2-3H2,1H3
InChIKeyCGQYXTIQXZCLRB-UHFFFAOYSA-N
XLogP4.16
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.13
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

5-Chlorotryptamine
CID 77379
5-Chloro-alphamt
CID 12833
1-(5-Chloro-1H-indol-3-yl)propan-2-amine--hydrogen chloride (1/1)
CID 518485
5-Chloro-1H-indole-3-ethylamine monohydrochloride
CID 2827494
1H-Indole-3-ethanamine, 7-chloro-
CID 145709
5-chloro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 3050532
5-chloro-3-(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 3061874
3-(5-chloro-1H-indol-3-yl)-N,N-dimethylpropan-1-amine
CID 44390397
2-(5,7-dichloro-1H-indol-3-yl)ethan-1-amine
CID 739323
5-chloro-3-methyl-1H-indole
CID 11019213
5,7-dichloro-1H-indole
CID 11217663
6,7-dichloro-1H-indole
CID 12272802

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-N-(2-fluoroethyl)-3-methyl-1H-indol-4-amine?
The IUPAC name of 6,7-dichloro-N-(2-fluoroethyl)-3-methyl-1H-indol-4-amine (CID 170610128) is 6,7-dichloro-N-(2-fluoroethyl)-3-methyl-1H-indol-4-amine.
What is the SMILES notation for 6,7-dichloro-N-(2-fluoroethyl)-3-methyl-1H-indol-4-amine?
The canonical SMILES for 6,7-dichloro-N-(2-fluoroethyl)-3-methyl-1H-indol-4-amine is Cc1c[nH]c2c(Cl)c(Cl)cc(NCCF)c12.
What is the InChIKey of 6,7-dichloro-N-(2-fluoroethyl)-3-methyl-1H-indol-4-amine?
The InChIKey is CGQYXTIQXZCLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2FN2/c1-6-5-16-11-9(6)8(15-3-2-14)4-7(12)10(11)13/h4-5,15-16H,2-3H2,1H3.
What are the key properties of 6,7-dichloro-N-(2-fluoroethyl)-3-methyl-1H-indol-4-amine?
6,7-dichloro-N-(2-fluoroethyl)-3-methyl-1H-indol-4-amine has a molecular weight of 261.13 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-N-(2-fluoroethyl)-3-methyl-1H-indol-4-amine is sourced from PubChem (CID 170610128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).