3-(6-chloro-3-ethyl-5-methoxyindol-1-yl)propan-1-amine

C14H19ClN2O — CID 83948348

IUPAC3-(6-chloro-3-ethyl-5-methoxyindol-1-yl)propan-1-amine
SMILESCCc1cn(CCCN)c2cc(Cl)c(OC)cc12
InChIInChI=1S/C14H19ClN2O/c1-3-10-9-17(6-4-5-16)13-8-12(15)14(18-2)7-11(10)13/h7-9H,3-6,16H2,1-2H3
InChIKeyJEFCMMKTBHQHLB-UHFFFAOYSA-N
MW266.77 g/mol
LogP3.21
Rot. Bonds5

About 3-(6-chloro-3-ethyl-5-methoxyindol-1-yl)propan-1-amine

3-(6-chloro-3-ethyl-5-methoxyindol-1-yl)propan-1-amine (PubChem CID 83948348) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 3-(6-chloro-3-ethyl-5-methoxyindol-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(6-chloro-3-ethyl-5-methoxyindol-1-yl)propan-1-amine
PubChem CID83948348
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name3-(6-chloro-3-ethyl-5-methoxyindol-1-yl)propan-1-amine
SMILESCCc1cn(CCCN)c2cc(Cl)c(OC)cc12
InChIInChI=1S/C14H19ClN2O/c1-3-10-9-17(6-4-5-16)13-8-12(15)14(18-2)7-11(10)13/h7-9H,3-6,16H2,1-2H3
InChIKeyJEFCMMKTBHQHLB-UHFFFAOYSA-N
XLogP3.21
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5,6-diethoxy-3-ethylindol-1-yl)propan-1-amine
CID 83948447
3-[1-(3-aminopropyl)-5,6-dimethoxyindol-3-yl]propan-1-amine
CID 83948403
3-(3-ethyl-5,6-dimethylindol-1-yl)propan-1-amine
CID 83948289
2-[1-(3-aminopropyl)-5,6-dimethoxyindol-3-yl]acetic acid
CID 83944609
2-[3-(3-aminopropyl)-5,6-dimethoxyindol-1-yl]ethanol
CID 83944570
3-[5,6-dimethoxy-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]propan-1-amine
CID 83948898
3-(3,5-diethylindol-1-yl)propan-1-amine
CID 83948751
3-(6-chloro-5-methoxy-2,3-dimethylindol-1-yl)propan-1-amine
CID 82501761
3-(8-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-6-yl)propan-1-amine
CID 83948422
3-(3-ethyl-5-propan-2-ylindol-1-yl)propan-1-amine
CID 83948594
2-[1-(3-aminopropyl)-5,6-dimethylindol-3-yl]acetic acid
CID 83944371
3-(6-chloro-5-methoxy-2-methylindol-1-yl)propan-1-amine
CID 82499498

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-3-ethyl-5-methoxyindol-1-yl)propan-1-amine?
The IUPAC name of 3-(6-chloro-3-ethyl-5-methoxyindol-1-yl)propan-1-amine (CID 83948348) is 3-(6-chloro-3-ethyl-5-methoxyindol-1-yl)propan-1-amine.
What is the SMILES notation for 3-(6-chloro-3-ethyl-5-methoxyindol-1-yl)propan-1-amine?
The canonical SMILES for 3-(6-chloro-3-ethyl-5-methoxyindol-1-yl)propan-1-amine is CCc1cn(CCCN)c2cc(Cl)c(OC)cc12.
What is the InChIKey of 3-(6-chloro-3-ethyl-5-methoxyindol-1-yl)propan-1-amine?
The InChIKey is JEFCMMKTBHQHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-3-10-9-17(6-4-5-16)13-8-12(15)14(18-2)7-11(10)13/h7-9H,3-6,16H2,1-2H3.
What are the key properties of 3-(6-chloro-3-ethyl-5-methoxyindol-1-yl)propan-1-amine?
3-(6-chloro-3-ethyl-5-methoxyindol-1-yl)propan-1-amine has a molecular weight of 266.77 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-3-ethyl-5-methoxyindol-1-yl)propan-1-amine is sourced from PubChem (CID 83948348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).