[1-(6-chloro-7-methyl-1H-indol-3-yl)cyclopropyl]methanamine

C13H15ClN2 — CID 82496496

IUPAC[1-(6-chloro-7-methyl-1H-indol-3-yl)cyclopropyl]methanamine
SMILESCc1c(Cl)ccc2c(C3(CN)CC3)c[nH]c12
InChIInChI=1S/C13H15ClN2/c1-8-11(14)3-2-9-10(6-16-12(8)9)13(7-15)4-5-13/h2-3,6,16H,4-5,7,15H2,1H3
InChIKeyZPEAOYWHXPWMTE-UHFFFAOYSA-N
MW234.73 g/mol
LogP3.12
Rot. Bonds2

About [1-(6-chloro-7-methyl-1H-indol-3-yl)cyclopropyl]methanamine

[1-(6-chloro-7-methyl-1H-indol-3-yl)cyclopropyl]methanamine (PubChem CID 82496496) has the molecular formula C13H15ClN2 and a molecular weight of 234.73 g/mol. Its IUPAC name is [1-(6-chloro-7-methyl-1H-indol-3-yl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(6-chloro-7-methyl-1H-indol-3-yl)cyclopropyl]methanamine
PubChem CID82496496
Molecular FormulaC13H15ClN2
Molecular Weight234.73 g/mol
Exact Mass234.09
IUPAC Name[1-(6-chloro-7-methyl-1H-indol-3-yl)cyclopropyl]methanamine
SMILESCc1c(Cl)ccc2c(C3(CN)CC3)c[nH]c12
InChIInChI=1S/C13H15ClN2/c1-8-11(14)3-2-9-10(6-16-12(8)9)13(7-15)4-5-13/h2-3,6,16H,4-5,7,15H2,1H3
InChIKeyZPEAOYWHXPWMTE-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [1-(6-chloro-7-methyl-1H-indol-3-yl)cyclopropyl]methanamine?
The IUPAC name of [1-(6-chloro-7-methyl-1H-indol-3-yl)cyclopropyl]methanamine (CID 82496496) is [1-(6-chloro-7-methyl-1H-indol-3-yl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(6-chloro-7-methyl-1H-indol-3-yl)cyclopropyl]methanamine?
The canonical SMILES for [1-(6-chloro-7-methyl-1H-indol-3-yl)cyclopropyl]methanamine is Cc1c(Cl)ccc2c(C3(CN)CC3)c[nH]c12.
What is the InChIKey of [1-(6-chloro-7-methyl-1H-indol-3-yl)cyclopropyl]methanamine?
The InChIKey is ZPEAOYWHXPWMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2/c1-8-11(14)3-2-9-10(6-16-12(8)9)13(7-15)4-5-13/h2-3,6,16H,4-5,7,15H2,1H3.
What are the key properties of [1-(6-chloro-7-methyl-1H-indol-3-yl)cyclopropyl]methanamine?
[1-(6-chloro-7-methyl-1H-indol-3-yl)cyclopropyl]methanamine has a molecular weight of 234.73 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-chloro-7-methyl-1H-indol-3-yl)cyclopropyl]methanamine is sourced from PubChem (CID 82496496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).