1-(4-chloro-1-ethylindol-2-yl)-N-methylethanamine

C13H17ClN2 — CID 117194509

IUPAC1-(4-chloro-1-ethylindol-2-yl)-N-methylethanamine
SMILESCCn1c(C(C)NC)cc2c(Cl)cccc21
InChIInChI=1S/C13H17ClN2/c1-4-16-12-7-5-6-11(14)10(12)8-13(16)9(2)15-3/h5-9,15H,4H2,1-3H3
InChIKeyMPXBRMWWRGWOHD-UHFFFAOYSA-N
MW236.75 g/mol
LogP3.60
Rot. Bonds3

About 1-(4-chloro-1-ethylindol-2-yl)-N-methylethanamine

1-(4-chloro-1-ethylindol-2-yl)-N-methylethanamine (PubChem CID 117194509) has the molecular formula C13H17ClN2 and a molecular weight of 236.75 g/mol. Its IUPAC name is 1-(4-chloro-1-ethylindol-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(4-chloro-1-ethylindol-2-yl)-N-methylethanamine
PubChem CID117194509
Molecular FormulaC13H17ClN2
Molecular Weight236.75 g/mol
Exact Mass236.11
IUPAC Name1-(4-chloro-1-ethylindol-2-yl)-N-methylethanamine
SMILESCCn1c(C(C)NC)cc2c(Cl)cccc21
InChIInChI=1S/C13H17ClN2/c1-4-16-12-7-5-6-11(14)10(12)8-13(16)9(2)15-3/h5-9,15H,4H2,1-3H3
InChIKeyMPXBRMWWRGWOHD-UHFFFAOYSA-N
XLogP3.60
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.75
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-propan-2-yl-1-propylindole
CID 154695419
4-chloro-1-ethyl-2-(propan-2-ylsulfonylmethyl)indole
CID 117173790
1-(1-ethyl-4-methylindol-2-yl)ethanol
CID 117120337
4-chloro-1-ethyl-2-(methylsulfonylmethyl)indole
CID 117173788
4-chloro-2-(methoxymethyl)-1-propan-2-ylindole
CID 117174049
1-(4-chloro-1H-indol-2-yl)-N-methylethanamine
CID 117194460
4-chloro-1-(2-methoxyethyl)indole-2-carboxylic acid
CID 175352139
methyl 2-(1-ethyl-4-methylindol-2-yl)-2-hydroxyacetate
CID 115071961
methyl 2-amino-2-(1-ethyl-4-methylindol-2-yl)acetate
CID 115071957
(1S)-1-(1-ethylindol-3-yl)-N-methylethanamine
CID 124705704
(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-1-ethylindol-2-yl)-N-methylethanamine?
The IUPAC name of 1-(4-chloro-1-ethylindol-2-yl)-N-methylethanamine (CID 117194509) is 1-(4-chloro-1-ethylindol-2-yl)-N-methylethanamine.
What is the SMILES notation for 1-(4-chloro-1-ethylindol-2-yl)-N-methylethanamine?
The canonical SMILES for 1-(4-chloro-1-ethylindol-2-yl)-N-methylethanamine is CCn1c(C(C)NC)cc2c(Cl)cccc21.
What is the InChIKey of 1-(4-chloro-1-ethylindol-2-yl)-N-methylethanamine?
The InChIKey is MPXBRMWWRGWOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2/c1-4-16-12-7-5-6-11(14)10(12)8-13(16)9(2)15-3/h5-9,15H,4H2,1-3H3.
What are the key properties of 1-(4-chloro-1-ethylindol-2-yl)-N-methylethanamine?
1-(4-chloro-1-ethylindol-2-yl)-N-methylethanamine has a molecular weight of 236.75 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-ethylindol-2-yl)-N-methylethanamine is sourced from PubChem (CID 117194509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).