1-[(4,4-difluorocyclohexyl)methyl]indol-5-amine

C15H18F2N2 — CID 156881348

IUPAC1-[(4,4-difluorocyclohexyl)methyl]indol-5-amine
SMILESNc1ccc2c(ccn2CC2CCC(F)(F)CC2)c1
InChIInChI=1S/C15H18F2N2/c16-15(17)6-3-11(4-7-15)10-19-8-5-12-9-13(18)1-2-14(12)19/h1-2,5,8-9,11H,3-4,6-7,10,18H2
InChIKeyZDYAQAXEDJCVEE-UHFFFAOYSA-N
MW264.32 g/mol
LogP4.05
Rot. Bonds2

About 1-[(4,4-difluorocyclohexyl)methyl]indol-5-amine

1-[(4,4-difluorocyclohexyl)methyl]indol-5-amine (PubChem CID 156881348) has the molecular formula C15H18F2N2 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-[(4,4-difluorocyclohexyl)methyl]indol-5-amine.

Molecular Properties

Compound Name1-[(4,4-difluorocyclohexyl)methyl]indol-5-amine
PubChem CID156881348
Molecular FormulaC15H18F2N2
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name1-[(4,4-difluorocyclohexyl)methyl]indol-5-amine
SMILESNc1ccc2c(ccn2CC2CCC(F)(F)CC2)c1
InChIInChI=1S/C15H18F2N2/c16-15(17)6-3-11(4-7-15)10-19-8-5-12-9-13(18)1-2-14(12)19/h1-2,5,8-9,11H,3-4,6-7,10,18H2
InChIKeyZDYAQAXEDJCVEE-UHFFFAOYSA-N
XLogP4.05
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk_indol_A(1)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(4,4-difluorocyclohexyl)methyl]indol-5-amine?
The IUPAC name of 1-[(4,4-difluorocyclohexyl)methyl]indol-5-amine (CID 156881348) is 1-[(4,4-difluorocyclohexyl)methyl]indol-5-amine.
What is the SMILES notation for 1-[(4,4-difluorocyclohexyl)methyl]indol-5-amine?
The canonical SMILES for 1-[(4,4-difluorocyclohexyl)methyl]indol-5-amine is Nc1ccc2c(ccn2CC2CCC(F)(F)CC2)c1.
What is the InChIKey of 1-[(4,4-difluorocyclohexyl)methyl]indol-5-amine?
The InChIKey is ZDYAQAXEDJCVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2/c16-15(17)6-3-11(4-7-15)10-19-8-5-12-9-13(18)1-2-14(12)19/h1-2,5,8-9,11H,3-4,6-7,10,18H2.
What are the key properties of 1-[(4,4-difluorocyclohexyl)methyl]indol-5-amine?
1-[(4,4-difluorocyclohexyl)methyl]indol-5-amine has a molecular weight of 264.32 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,4-difluorocyclohexyl)methyl]indol-5-amine is sourced from PubChem (CID 156881348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).