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

C16H21ClN2 — CID 98034385

IUPAC[1-(5-chloro-1,2-dimethylindol-3-yl)cyclopentyl]methanamine
SMILESCc1c(C2(CN)CCCC2)c2cc(Cl)ccc2n1C
InChIInChI=1S/C16H21ClN2/c1-11-15(16(10-18)7-3-4-8-16)13-9-12(17)5-6-14(13)19(11)2/h5-6,9H,3-4,7-8,10,18H2,1-2H3
InChIKeyODDRLFRPVFOMED-UHFFFAOYSA-N
MW276.81 g/mol
LogP3.91
Rot. Bonds2

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

[1-(5-chloro-1,2-dimethylindol-3-yl)cyclopentyl]methanamine (PubChem CID 98034385) has the molecular formula C16H21ClN2 and a molecular weight of 276.81 g/mol. Its IUPAC name is [1-(5-chloro-1,2-dimethylindol-3-yl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(5-chloro-1,2-dimethylindol-3-yl)cyclopentyl]methanamine
PubChem CID98034385
Molecular FormulaC16H21ClN2
Molecular Weight276.81 g/mol
Exact Mass276.14
IUPAC Name[1-(5-chloro-1,2-dimethylindol-3-yl)cyclopentyl]methanamine
SMILESCc1c(C2(CN)CCCC2)c2cc(Cl)ccc2n1C
InChIInChI=1S/C16H21ClN2/c1-11-15(16(10-18)7-3-4-8-16)13-9-12(17)5-6-14(13)19(11)2/h5-6,9H,3-4,7-8,10,18H2,1-2H3
InChIKeyODDRLFRPVFOMED-UHFFFAOYSA-N
XLogP3.91
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.81
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(5-chloro-1,2-dimethylindol-3-yl)cyclobutyl]methanamine
CID 82666568
[1-(1,2-dimethylindol-3-yl)cyclopentyl]methanamine
CID 82497283
[1-(6-chloro-1-methylindol-2-yl)cyclopentyl]methanamine
CID 82666562
1-[1-(6-chloro-1,2-dimethylindol-3-yl)cyclopropyl]-N-methylmethanamine
CID 84639089
[1-(1,2,4,7-tetramethylindol-3-yl)cyclopentyl]methanamine
CID 96679133
[1-(4-chloro-2,6-difluorophenyl)cyclopentyl]methanamine
CID 117366660
[1-(5-chloro-1-methylbenzimidazol-2-yl)cyclopropyl]methanamine
CID 115450556
[1-(2,6-difluoro-3-methylphenyl)cyclopentyl]methanamine
CID 117323755
2-[1-(aminomethyl)cyclopentyl]-4-chlorophenol
CID 131368937
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-(2-chloro-3-fluoro-6-methylphenyl)cyclobutyl]methanamine
CID 117327869

Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-1,2-dimethylindol-3-yl)cyclopentyl]methanamine?
The IUPAC name of [1-(5-chloro-1,2-dimethylindol-3-yl)cyclopentyl]methanamine (CID 98034385) is [1-(5-chloro-1,2-dimethylindol-3-yl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(5-chloro-1,2-dimethylindol-3-yl)cyclopentyl]methanamine?
The canonical SMILES for [1-(5-chloro-1,2-dimethylindol-3-yl)cyclopentyl]methanamine is Cc1c(C2(CN)CCCC2)c2cc(Cl)ccc2n1C.
What is the InChIKey of [1-(5-chloro-1,2-dimethylindol-3-yl)cyclopentyl]methanamine?
The InChIKey is ODDRLFRPVFOMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2/c1-11-15(16(10-18)7-3-4-8-16)13-9-12(17)5-6-14(13)19(11)2/h5-6,9H,3-4,7-8,10,18H2,1-2H3.
What are the key properties of [1-(5-chloro-1,2-dimethylindol-3-yl)cyclopentyl]methanamine?
[1-(5-chloro-1,2-dimethylindol-3-yl)cyclopentyl]methanamine has a molecular weight of 276.81 g/mol, XLogP of 3.91, 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)cyclopentyl]methanamine is sourced from PubChem (CID 98034385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).