1-[(5-chloro-2-methyl-1H-indol-6-yl)methyl]cyclopropan-1-amine

C13H15ClN2 — CID 117341468

IUPAC1-[(5-chloro-2-methyl-1H-indol-6-yl)methyl]cyclopropan-1-amine
SMILESCc1cc2cc(Cl)c(CC3(N)CC3)cc2[nH]1
InChIInChI=1S/C13H15ClN2/c1-8-4-9-5-11(14)10(6-12(9)16-8)7-13(15)2-3-13/h4-6,16H,2-3,7,15H2,1H3
InChIKeyTZFTVQLLHJHLRH-UHFFFAOYSA-N
MW234.73 g/mol
LogP3.16
Rot. Bonds2

About 1-[(5-chloro-2-methyl-1H-indol-6-yl)methyl]cyclopropan-1-amine

1-[(5-chloro-2-methyl-1H-indol-6-yl)methyl]cyclopropan-1-amine (PubChem CID 117341468) has the molecular formula C13H15ClN2 and a molecular weight of 234.73 g/mol. Its IUPAC name is 1-[(5-chloro-2-methyl-1H-indol-6-yl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(5-chloro-2-methyl-1H-indol-6-yl)methyl]cyclopropan-1-amine
PubChem CID117341468
Molecular FormulaC13H15ClN2
Molecular Weight234.73 g/mol
Exact Mass234.09
IUPAC Name1-[(5-chloro-2-methyl-1H-indol-6-yl)methyl]cyclopropan-1-amine
SMILESCc1cc2cc(Cl)c(CC3(N)CC3)cc2[nH]1
InChIInChI=1S/C13H15ClN2/c1-8-4-9-5-11(14)10(6-12(9)16-8)7-13(15)2-3-13/h4-6,16H,2-3,7,15H2,1H3
InChIKeyTZFTVQLLHJHLRH-UHFFFAOYSA-N
XLogP3.16
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-methyl-1H-indol-6-yl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(5-chloro-2-methyl-1H-indol-6-yl)methyl]cyclopropan-1-amine (CID 117341468) is 1-[(5-chloro-2-methyl-1H-indol-6-yl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(5-chloro-2-methyl-1H-indol-6-yl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(5-chloro-2-methyl-1H-indol-6-yl)methyl]cyclopropan-1-amine is Cc1cc2cc(Cl)c(CC3(N)CC3)cc2[nH]1.
What is the InChIKey of 1-[(5-chloro-2-methyl-1H-indol-6-yl)methyl]cyclopropan-1-amine?
The InChIKey is TZFTVQLLHJHLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2/c1-8-4-9-5-11(14)10(6-12(9)16-8)7-13(15)2-3-13/h4-6,16H,2-3,7,15H2,1H3.
What are the key properties of 1-[(5-chloro-2-methyl-1H-indol-6-yl)methyl]cyclopropan-1-amine?
1-[(5-chloro-2-methyl-1H-indol-6-yl)methyl]cyclopropan-1-amine has a molecular weight of 234.73 g/mol, XLogP of 3.16, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-methyl-1H-indol-6-yl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 117341468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).