[1-(5-fluoro-1,2-dimethylindol-6-yl)cyclopentyl]methanamine

C16H21FN2 — CID 117405392

IUPAC[1-(5-fluoro-1,2-dimethylindol-6-yl)cyclopentyl]methanamine
SMILESCc1cc2cc(F)c(C3(CN)CCCC3)cc2n1C
InChIInChI=1S/C16H21FN2/c1-11-7-12-8-14(17)13(9-15(12)19(11)2)16(10-18)5-3-4-6-16/h7-9H,3-6,10,18H2,1-2H3
InChIKeySYCOHCWOORMHTM-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.40
Rot. Bonds2

About [1-(5-fluoro-1,2-dimethylindol-6-yl)cyclopentyl]methanamine

[1-(5-fluoro-1,2-dimethylindol-6-yl)cyclopentyl]methanamine (PubChem CID 117405392) has the molecular formula C16H21FN2 and a molecular weight of 260.36 g/mol. Its IUPAC name is [1-(5-fluoro-1,2-dimethylindol-6-yl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(5-fluoro-1,2-dimethylindol-6-yl)cyclopentyl]methanamine
PubChem CID117405392
Molecular FormulaC16H21FN2
Molecular Weight260.36 g/mol
Exact Mass260.17
IUPAC Name[1-(5-fluoro-1,2-dimethylindol-6-yl)cyclopentyl]methanamine
SMILESCc1cc2cc(F)c(C3(CN)CCCC3)cc2n1C
InChIInChI=1S/C16H21FN2/c1-11-7-12-8-14(17)13(9-15(12)19(11)2)16(10-18)5-3-4-6-16/h7-9H,3-6,10,18H2,1-2H3
InChIKeySYCOHCWOORMHTM-UHFFFAOYSA-N
XLogP3.40
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

[1-(1,2-dimethylindol-5-yl)cyclobutyl]methanamine
CID 116996460
[1-(1,2,5-trimethylpyrrol-3-yl)cyclohexyl]methanamine
CID 82494187
[1-(2-fluoro-4,5-dimethylphenyl)cyclopropyl]methanamine
CID 84772874
[1-(2-fluoro-5-methoxy-4-methylphenyl)cyclohexyl]methanamine
CID 117382086
[1-(2-fluoro-5-methylphenyl)cyclobutyl]methanamine
CID 117284015
[3-(1,2-dimethylindol-5-yl)oxetan-3-yl]methanamine
CID 116996470
[1-(5-chloro-4-fluoro-2-methylphenyl)cyclopentyl]methanamine
CID 117356576
3-[1-(aminomethyl)cyclopentyl]-4-fluoro-5-methylphenol
CID 117320311
methyl 5-[1-(aminomethyl)cyclohexyl]-4-fluoro-2-methylbenzoate
CID 117448080
4-[1-(aminomethyl)cyclopropyl]-5-fluoro-2-methylphenol
CID 117285302
[1-(6-chloro-1-methylindol-2-yl)cyclopentyl]methanamine
CID 82666562
4-[1-(aminomethyl)cyclohexyl]-2-chloro-5-fluorophenol
CID 117397912

Frequently Asked Questions

What is the IUPAC name of [1-(5-fluoro-1,2-dimethylindol-6-yl)cyclopentyl]methanamine?
The IUPAC name of [1-(5-fluoro-1,2-dimethylindol-6-yl)cyclopentyl]methanamine (CID 117405392) is [1-(5-fluoro-1,2-dimethylindol-6-yl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(5-fluoro-1,2-dimethylindol-6-yl)cyclopentyl]methanamine?
The canonical SMILES for [1-(5-fluoro-1,2-dimethylindol-6-yl)cyclopentyl]methanamine is Cc1cc2cc(F)c(C3(CN)CCCC3)cc2n1C.
What is the InChIKey of [1-(5-fluoro-1,2-dimethylindol-6-yl)cyclopentyl]methanamine?
The InChIKey is SYCOHCWOORMHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2/c1-11-7-12-8-14(17)13(9-15(12)19(11)2)16(10-18)5-3-4-6-16/h7-9H,3-6,10,18H2,1-2H3.
What are the key properties of [1-(5-fluoro-1,2-dimethylindol-6-yl)cyclopentyl]methanamine?
[1-(5-fluoro-1,2-dimethylindol-6-yl)cyclopentyl]methanamine has a molecular weight of 260.36 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-fluoro-1,2-dimethylindol-6-yl)cyclopentyl]methanamine is sourced from PubChem (CID 117405392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).