1-(7-fluoro-2,3-dimethyl-1H-indol-5-yl)cyclohexan-1-amine

C16H21FN2 — CID 117405404

IUPAC1-(7-fluoro-2,3-dimethyl-1H-indol-5-yl)cyclohexan-1-amine
SMILESCc1[nH]c2c(F)cc(C3(N)CCCCC3)cc2c1C
InChIInChI=1S/C16H21FN2/c1-10-11(2)19-15-13(10)8-12(9-14(15)17)16(18)6-4-3-5-7-16/h8-9,19H,3-7,18H2,1-2H3
InChIKeyUFCIYLHKGJGTMU-UHFFFAOYSA-N
MW260.36 g/mol
LogP4.04
Rot. Bonds1

About 1-(7-fluoro-2,3-dimethyl-1H-indol-5-yl)cyclohexan-1-amine

1-(7-fluoro-2,3-dimethyl-1H-indol-5-yl)cyclohexan-1-amine (PubChem CID 117405404) has the molecular formula C16H21FN2 and a molecular weight of 260.36 g/mol. Its IUPAC name is 1-(7-fluoro-2,3-dimethyl-1H-indol-5-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(7-fluoro-2,3-dimethyl-1H-indol-5-yl)cyclohexan-1-amine
PubChem CID117405404
Molecular FormulaC16H21FN2
Molecular Weight260.36 g/mol
Exact Mass260.17
IUPAC Name1-(7-fluoro-2,3-dimethyl-1H-indol-5-yl)cyclohexan-1-amine
SMILESCc1[nH]c2c(F)cc(C3(N)CCCCC3)cc2c1C
InChIInChI=1S/C16H21FN2/c1-10-11(2)19-15-13(10)8-12(9-14(15)17)16(18)6-4-3-5-7-16/h8-9,19H,3-7,18H2,1-2H3
InChIKeyUFCIYLHKGJGTMU-UHFFFAOYSA-N
XLogP4.04
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-2,3-dimethyl-1H-indol-5-yl)cyclohexan-1-amine?
The IUPAC name of 1-(7-fluoro-2,3-dimethyl-1H-indol-5-yl)cyclohexan-1-amine (CID 117405404) is 1-(7-fluoro-2,3-dimethyl-1H-indol-5-yl)cyclohexan-1-amine.
What is the SMILES notation for 1-(7-fluoro-2,3-dimethyl-1H-indol-5-yl)cyclohexan-1-amine?
The canonical SMILES for 1-(7-fluoro-2,3-dimethyl-1H-indol-5-yl)cyclohexan-1-amine is Cc1[nH]c2c(F)cc(C3(N)CCCCC3)cc2c1C.
What is the InChIKey of 1-(7-fluoro-2,3-dimethyl-1H-indol-5-yl)cyclohexan-1-amine?
The InChIKey is UFCIYLHKGJGTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2/c1-10-11(2)19-15-13(10)8-12(9-14(15)17)16(18)6-4-3-5-7-16/h8-9,19H,3-7,18H2,1-2H3.
What are the key properties of 1-(7-fluoro-2,3-dimethyl-1H-indol-5-yl)cyclohexan-1-amine?
1-(7-fluoro-2,3-dimethyl-1H-indol-5-yl)cyclohexan-1-amine has a molecular weight of 260.36 g/mol, XLogP of 4.04, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoro-2,3-dimethyl-1H-indol-5-yl)cyclohexan-1-amine is sourced from PubChem (CID 117405404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).