[1-(5-chloro-1,2-dimethylindol-3-yl)cyclobutyl]methanamine

C15H19ClN2 — CID 82666568

IUPAC[1-(5-chloro-1,2-dimethylindol-3-yl)cyclobutyl]methanamine
SMILESCc1c(C2(CN)CCC2)c2cc(Cl)ccc2n1C
InChIInChI=1S/C15H19ClN2/c1-10-14(15(9-17)6-3-7-15)12-8-11(16)4-5-13(12)18(10)2/h4-5,8H,3,6-7,9,17H2,1-2H3
InChIKeyJYBPTBYTXCWKLF-UHFFFAOYSA-N
MW262.78 g/mol
LogP3.52
Rot. Bonds2

About [1-(5-chloro-1,2-dimethylindol-3-yl)cyclobutyl]methanamine

[1-(5-chloro-1,2-dimethylindol-3-yl)cyclobutyl]methanamine (PubChem CID 82666568) has the molecular formula C15H19ClN2 and a molecular weight of 262.78 g/mol. Its IUPAC name is [1-(5-chloro-1,2-dimethylindol-3-yl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(5-chloro-1,2-dimethylindol-3-yl)cyclobutyl]methanamine
PubChem CID82666568
Molecular FormulaC15H19ClN2
Molecular Weight262.78 g/mol
Exact Mass262.12
IUPAC Name[1-(5-chloro-1,2-dimethylindol-3-yl)cyclobutyl]methanamine
SMILESCc1c(C2(CN)CCC2)c2cc(Cl)ccc2n1C
InChIInChI=1S/C15H19ClN2/c1-10-14(15(9-17)6-3-7-15)12-8-11(16)4-5-13(12)18(10)2/h4-5,8H,3,6-7,9,17H2,1-2H3
InChIKeyJYBPTBYTXCWKLF-UHFFFAOYSA-N
XLogP3.52
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(5-chloro-1,2-dimethylindol-3-yl)cyclopentyl]methanamine
CID 98034385
[1-(1,2-dimethylindol-3-yl)cyclopentyl]methanamine
CID 82497283
1-[1-(6-chloro-1,2-dimethylindol-3-yl)cyclopropyl]-N-methylmethanamine
CID 84639089
[1-(6-chloro-1-methylindol-2-yl)cyclopentyl]methanamine
CID 82666562
[1-(2-chloro-3-fluoro-6-methylphenyl)cyclobutyl]methanamine
CID 117327869
[1-(5-chloro-1-methylbenzimidazol-2-yl)cyclopropyl]methanamine
CID 115450556
[1-(1,2,4,7-tetramethylindol-3-yl)cyclopentyl]methanamine
CID 96679133
1-[1-(5-fluoro-1,2-dimethylindol-3-yl)cyclopropyl]-N-methylmethanamine
CID 84632365
1-(5-chloro-1,2-dimethylindol-3-yl)-N-methylmethanamine
CID 82494517
[1-(5-chloro-2-ethylphenyl)cyclobutyl]methanamine
CID 117321165
[1-(1,2-dimethylindol-5-yl)cyclobutyl]methanamine
CID 116996460
[1-(4-chloro-2,6-difluorophenyl)cyclopentyl]methanamine
CID 117366660

Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-1,2-dimethylindol-3-yl)cyclobutyl]methanamine?
The IUPAC name of [1-(5-chloro-1,2-dimethylindol-3-yl)cyclobutyl]methanamine (CID 82666568) is [1-(5-chloro-1,2-dimethylindol-3-yl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(5-chloro-1,2-dimethylindol-3-yl)cyclobutyl]methanamine?
The canonical SMILES for [1-(5-chloro-1,2-dimethylindol-3-yl)cyclobutyl]methanamine is Cc1c(C2(CN)CCC2)c2cc(Cl)ccc2n1C.
What is the InChIKey of [1-(5-chloro-1,2-dimethylindol-3-yl)cyclobutyl]methanamine?
The InChIKey is JYBPTBYTXCWKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2/c1-10-14(15(9-17)6-3-7-15)12-8-11(16)4-5-13(12)18(10)2/h4-5,8H,3,6-7,9,17H2,1-2H3.
What are the key properties of [1-(5-chloro-1,2-dimethylindol-3-yl)cyclobutyl]methanamine?
[1-(5-chloro-1,2-dimethylindol-3-yl)cyclobutyl]methanamine has a molecular weight of 262.78 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-1,2-dimethylindol-3-yl)cyclobutyl]methanamine is sourced from PubChem (CID 82666568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).