3-(6-chloro-1-ethyl-7-methylindol-3-yl)propan-1-amine

C14H19ClN2 — CID 83948634

IUPAC3-(6-chloro-1-ethyl-7-methylindol-3-yl)propan-1-amine
SMILESCCn1cc(CCCN)c2ccc(Cl)c(C)c21
InChIInChI=1S/C14H19ClN2/c1-3-17-9-11(5-4-8-16)12-6-7-13(15)10(2)14(12)17/h6-7,9H,3-5,8,16H2,1-2H3
InChIKeySKXRLOMATOIFRO-UHFFFAOYSA-N
MW250.77 g/mol
LogP3.51
Rot. Bonds4

About 3-(6-chloro-1-ethyl-7-methylindol-3-yl)propan-1-amine

3-(6-chloro-1-ethyl-7-methylindol-3-yl)propan-1-amine (PubChem CID 83948634) has the molecular formula C14H19ClN2 and a molecular weight of 250.77 g/mol. Its IUPAC name is 3-(6-chloro-1-ethyl-7-methylindol-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(6-chloro-1-ethyl-7-methylindol-3-yl)propan-1-amine
PubChem CID83948634
Molecular FormulaC14H19ClN2
Molecular Weight250.77 g/mol
Exact Mass250.12
IUPAC Name3-(6-chloro-1-ethyl-7-methylindol-3-yl)propan-1-amine
SMILESCCn1cc(CCCN)c2ccc(Cl)c(C)c21
InChIInChI=1S/C14H19ClN2/c1-3-17-9-11(5-4-8-16)12-6-7-13(15)10(2)14(12)17/h6-7,9H,3-5,8,16H2,1-2H3
InChIKeySKXRLOMATOIFRO-UHFFFAOYSA-N
XLogP3.51
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-aminoethyl)-6-chloro-7-methylindol-3-yl]ethanamine
CID 83948657
3-(1-ethyl-7-methylindol-3-yl)propan-1-amine
CID 117197455
3-(3-butyl-6-chloro-7-methylindol-1-yl)propan-1-ol
CID 83945163
3-(6-chloro-7-methyl-3-propylindol-1-yl)propan-1-ol
CID 83945161
3-(1-ethyl-7-methoxyindol-3-yl)propan-1-amine
CID 117197959
3-(4-chloro-1-ethylindol-3-yl)propan-1-amine
CID 117119707
2-[1-(2-aminoethyl)-6,7-dichloroindol-3-yl]ethanamine
CID 83948501
3-(6-chloro-7-methyl-1H-indol-3-yl)propan-1-amine
CID 3925639
3-(3-aminopropyl)-1-ethyl-5-methylindole-7-carboxylic acid
CID 83946029
3-(3-butyl-6-chloroindol-1-yl)propan-1-amine
CID 83948692
3-(2-aminoethyl)-1-ethyl-6-methylindole-7-carboxylic acid
CID 83946328
2-[6-chloro-1-(2-hydroxyethyl)-7-methylindol-3-yl]acetic acid
CID 83945122

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-1-ethyl-7-methylindol-3-yl)propan-1-amine?
The IUPAC name of 3-(6-chloro-1-ethyl-7-methylindol-3-yl)propan-1-amine (CID 83948634) is 3-(6-chloro-1-ethyl-7-methylindol-3-yl)propan-1-amine.
What is the SMILES notation for 3-(6-chloro-1-ethyl-7-methylindol-3-yl)propan-1-amine?
The canonical SMILES for 3-(6-chloro-1-ethyl-7-methylindol-3-yl)propan-1-amine is CCn1cc(CCCN)c2ccc(Cl)c(C)c21.
What is the InChIKey of 3-(6-chloro-1-ethyl-7-methylindol-3-yl)propan-1-amine?
The InChIKey is SKXRLOMATOIFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2/c1-3-17-9-11(5-4-8-16)12-6-7-13(15)10(2)14(12)17/h6-7,9H,3-5,8,16H2,1-2H3.
What are the key properties of 3-(6-chloro-1-ethyl-7-methylindol-3-yl)propan-1-amine?
3-(6-chloro-1-ethyl-7-methylindol-3-yl)propan-1-amine has a molecular weight of 250.77 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-1-ethyl-7-methylindol-3-yl)propan-1-amine is sourced from PubChem (CID 83948634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).