1-[1-(6-chloro-1-methylindol-3-yl)cyclopropyl]-N-methylmethanamine

C14H17ClN2 — CID 84633362

IUPAC1-[1-(6-chloro-1-methylindol-3-yl)cyclopropyl]-N-methylmethanamine
SMILESCNCC1(c2cn(C)c3cc(Cl)ccc23)CC1
InChIInChI=1S/C14H17ClN2/c1-16-9-14(5-6-14)12-8-17(2)13-7-10(15)3-4-11(12)13/h3-4,7-8,16H,5-6,9H2,1-2H3
InChIKeyXXMQEFLIAAFRQC-UHFFFAOYSA-N
MW248.76 g/mol
LogP3.08
Rot. Bonds3

About 1-[1-(6-chloro-1-methylindol-3-yl)cyclopropyl]-N-methylmethanamine

1-[1-(6-chloro-1-methylindol-3-yl)cyclopropyl]-N-methylmethanamine (PubChem CID 84633362) has the molecular formula C14H17ClN2 and a molecular weight of 248.76 g/mol. Its IUPAC name is 1-[1-(6-chloro-1-methylindol-3-yl)cyclopropyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(6-chloro-1-methylindol-3-yl)cyclopropyl]-N-methylmethanamine
PubChem CID84633362
Molecular FormulaC14H17ClN2
Molecular Weight248.76 g/mol
Exact Mass248.11
IUPAC Name1-[1-(6-chloro-1-methylindol-3-yl)cyclopropyl]-N-methylmethanamine
SMILESCNCC1(c2cn(C)c3cc(Cl)ccc23)CC1
InChIInChI=1S/C14H17ClN2/c1-16-9-14(5-6-14)12-8-17(2)13-7-10(15)3-4-11(12)13/h3-4,7-8,16H,5-6,9H2,1-2H3
InChIKeyXXMQEFLIAAFRQC-UHFFFAOYSA-N
XLogP3.08
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.76
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-chloro-1-methylindol-3-yl)cyclopropyl]-N-methylmethanamine?
The IUPAC name of 1-[1-(6-chloro-1-methylindol-3-yl)cyclopropyl]-N-methylmethanamine (CID 84633362) is 1-[1-(6-chloro-1-methylindol-3-yl)cyclopropyl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(6-chloro-1-methylindol-3-yl)cyclopropyl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(6-chloro-1-methylindol-3-yl)cyclopropyl]-N-methylmethanamine is CNCC1(c2cn(C)c3cc(Cl)ccc23)CC1.
What is the InChIKey of 1-[1-(6-chloro-1-methylindol-3-yl)cyclopropyl]-N-methylmethanamine?
The InChIKey is XXMQEFLIAAFRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2/c1-16-9-14(5-6-14)12-8-17(2)13-7-10(15)3-4-11(12)13/h3-4,7-8,16H,5-6,9H2,1-2H3.
What are the key properties of 1-[1-(6-chloro-1-methylindol-3-yl)cyclopropyl]-N-methylmethanamine?
1-[1-(6-chloro-1-methylindol-3-yl)cyclopropyl]-N-methylmethanamine has a molecular weight of 248.76 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-chloro-1-methylindol-3-yl)cyclopropyl]-N-methylmethanamine is sourced from PubChem (CID 84633362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).