1-(6-chloro-1-propan-2-ylindol-2-yl)ethanamine

C13H17ClN2 — CID 117122793

IUPAC1-(6-chloro-1-propan-2-ylindol-2-yl)ethanamine
SMILESCC(N)c1cc2ccc(Cl)cc2n1C(C)C
InChIInChI=1S/C13H17ClN2/c1-8(2)16-12(9(3)15)6-10-4-5-11(14)7-13(10)16/h4-9H,15H2,1-3H3
InChIKeyDYDUCZBMEQWOFW-UHFFFAOYSA-N
MW236.75 g/mol
LogP3.90
Rot. Bonds2

About 1-(6-chloro-1-propan-2-ylindol-2-yl)ethanamine

1-(6-chloro-1-propan-2-ylindol-2-yl)ethanamine (PubChem CID 117122793) has the molecular formula C13H17ClN2 and a molecular weight of 236.75 g/mol. Its IUPAC name is 1-(6-chloro-1-propan-2-ylindol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(6-chloro-1-propan-2-ylindol-2-yl)ethanamine
PubChem CID117122793
Molecular FormulaC13H17ClN2
Molecular Weight236.75 g/mol
Exact Mass236.11
IUPAC Name1-(6-chloro-1-propan-2-ylindol-2-yl)ethanamine
SMILESCC(N)c1cc2ccc(Cl)cc2n1C(C)C
InChIInChI=1S/C13H17ClN2/c1-8(2)16-12(9(3)15)6-10-4-5-11(14)7-13(10)16/h4-9H,15H2,1-3H3
InChIKeyDYDUCZBMEQWOFW-UHFFFAOYSA-N
XLogP3.90
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.75
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 46310660
2-(6-chloro-1-ethylindol-2-yl)propan-1-amine
CID 117122802
1-(7-fluoro-1-propan-2-ylindol-2-yl)ethanamine
CID 83860159
2-(6-bromo-1-propan-2-ylindol-2-yl)propan-1-amine
CID 117122810
6-chloro-1-(1-cyanoethyl)indole-2-carboxylic acid
CID 22338177
6-chloro-2-[(2-methylphenoxy)methyl]-1-propan-2-ylindole
CID 117180665
(6-chloro-1-propan-2-ylbenzimidazol-2-yl)methanamine;dihydrochloride
CID 112758022
3-[(6-chloro-1-propan-2-ylindol-2-yl)methoxy]phenol
CID 117180731
(1R)-1-(6-chloro-1-methylindol-3-yl)ethanamine
CID 95433151
2-(6-fluoro-1-propan-2-ylindol-2-yl)propanoic acid
CID 117122852
2-(6-fluoro-1-propan-2-ylindol-2-yl)propan-1-ol
CID 117122777
2-(6-bromo-1-propan-2-ylindol-2-yl)propan-1-ol
CID 117122779

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-1-propan-2-ylindol-2-yl)ethanamine?
The IUPAC name of 1-(6-chloro-1-propan-2-ylindol-2-yl)ethanamine (CID 117122793) is 1-(6-chloro-1-propan-2-ylindol-2-yl)ethanamine.
What is the SMILES notation for 1-(6-chloro-1-propan-2-ylindol-2-yl)ethanamine?
The canonical SMILES for 1-(6-chloro-1-propan-2-ylindol-2-yl)ethanamine is CC(N)c1cc2ccc(Cl)cc2n1C(C)C.
What is the InChIKey of 1-(6-chloro-1-propan-2-ylindol-2-yl)ethanamine?
The InChIKey is DYDUCZBMEQWOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2/c1-8(2)16-12(9(3)15)6-10-4-5-11(14)7-13(10)16/h4-9H,15H2,1-3H3.
What are the key properties of 1-(6-chloro-1-propan-2-ylindol-2-yl)ethanamine?
1-(6-chloro-1-propan-2-ylindol-2-yl)ethanamine has a molecular weight of 236.75 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-1-propan-2-ylindol-2-yl)ethanamine is sourced from PubChem (CID 117122793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).