1-(4-chloro-1H-indol-2-yl)-N-methylethanamine

C11H13ClN2 — CID 117194460

IUPAC1-(4-chloro-1H-indol-2-yl)-N-methylethanamine
SMILESCNC(C)c1cc2c(Cl)cccc2[nH]1
InChIInChI=1S/C11H13ClN2/c1-7(13-2)11-6-8-9(12)4-3-5-10(8)14-11/h3-7,13-14H,1-2H3
InChIKeyFSEVIYYZAPLNHY-UHFFFAOYSA-N
MW208.69 g/mol
LogP3.10
Rot. Bonds2

About 1-(4-chloro-1H-indol-2-yl)-N-methylethanamine

1-(4-chloro-1H-indol-2-yl)-N-methylethanamine (PubChem CID 117194460) has the molecular formula C11H13ClN2 and a molecular weight of 208.69 g/mol. Its IUPAC name is 1-(4-chloro-1H-indol-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(4-chloro-1H-indol-2-yl)-N-methylethanamine
PubChem CID117194460
Molecular FormulaC11H13ClN2
Molecular Weight208.69 g/mol
Exact Mass208.08
IUPAC Name1-(4-chloro-1H-indol-2-yl)-N-methylethanamine
SMILESCNC(C)c1cc2c(Cl)cccc2[nH]1
InChIInChI=1S/C11H13ClN2/c1-7(13-2)11-6-8-9(12)4-3-5-10(8)14-11/h3-7,13-14H,1-2H3
InChIKeyFSEVIYYZAPLNHY-UHFFFAOYSA-N
XLogP3.10
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-chloro-1H-indol-2-yl)-N-methyl-3-phenylpropan-1-amine
CID 58088597
(1R)-1-(4-chloro-1H-indol-2-yl)prop-2-en-1-amine
CID 131048155
2,4-dichloro-1H-indole
CID 54192783
5-chloro-3-propan-2-yl-1H-quinolin-2-one
CID 138581131
4-chloro-2-(chloromethyl)-1H-indole;ethane
CID 145335969
1-(6-chloro-7-methyl-1H-indol-2-yl)-N-methylethanamine
CID 83868171
4-chloro-2-(methylsulfanylmethyl)-1H-indole
CID 117173429
N-methyl-1-(7-methyl-1H-indol-2-yl)ethanamine
CID 65333714
N-[(4-chloro-1H-indol-2-yl)methyl]hydroxylamine
CID 82606816
1-(9H-carbazol-3-yl)-N-methylethanamine
CID 43483946
(1S)-1-(2-chlorophenyl)-N-methylethanamine
CID 30073865
(1S)-1-(3-chloro-2-methylphenyl)-N-methylethanamine
CID 96656380

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1H-indol-2-yl)-N-methylethanamine?
The IUPAC name of 1-(4-chloro-1H-indol-2-yl)-N-methylethanamine (CID 117194460) is 1-(4-chloro-1H-indol-2-yl)-N-methylethanamine.
What is the SMILES notation for 1-(4-chloro-1H-indol-2-yl)-N-methylethanamine?
The canonical SMILES for 1-(4-chloro-1H-indol-2-yl)-N-methylethanamine is CNC(C)c1cc2c(Cl)cccc2[nH]1.
What is the InChIKey of 1-(4-chloro-1H-indol-2-yl)-N-methylethanamine?
The InChIKey is FSEVIYYZAPLNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2/c1-7(13-2)11-6-8-9(12)4-3-5-10(8)14-11/h3-7,13-14H,1-2H3.
What are the key properties of 1-(4-chloro-1H-indol-2-yl)-N-methylethanamine?
1-(4-chloro-1H-indol-2-yl)-N-methylethanamine has a molecular weight of 208.69 g/mol, XLogP of 3.10, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1H-indol-2-yl)-N-methylethanamine is sourced from PubChem (CID 117194460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).