1-(2,6-difluorophenyl)-3-propan-2-ylcyclohexan-1-amine

C15H21F2N — CID 107450086

IUPAC1-(2,6-difluorophenyl)-3-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCCC(N)(c2c(F)cccc2F)C1
InChIInChI=1S/C15H21F2N/c1-10(2)11-5-4-8-15(18,9-11)14-12(16)6-3-7-13(14)17/h3,6-7,10-11H,4-5,8-9,18H2,1-2H3
InChIKeyUKMPAQCRHSOPQL-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.96
Rot. Bonds2

About 1-(2,6-difluorophenyl)-3-propan-2-ylcyclohexan-1-amine

1-(2,6-difluorophenyl)-3-propan-2-ylcyclohexan-1-amine (PubChem CID 107450086) has the molecular formula C15H21F2N and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-3-propan-2-ylcyclohexan-1-amine
PubChem CID107450086
Molecular FormulaC15H21F2N
Molecular Weight253.34 g/mol
Exact Mass253.16
IUPAC Name1-(2,6-difluorophenyl)-3-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCCC(N)(c2c(F)cccc2F)C1
InChIInChI=1S/C15H21F2N/c1-10(2)11-5-4-8-15(18,9-11)14-12(16)6-3-7-13(14)17/h3,6-7,10-11H,4-5,8-9,18H2,1-2H3
InChIKeyUKMPAQCRHSOPQL-UHFFFAOYSA-N
XLogP3.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 1-(2,6-difluorophenyl)-3-propan-2-ylcyclohexan-1-amine (CID 107450086) is 1-(2,6-difluorophenyl)-3-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-3-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 1-(2,6-difluorophenyl)-3-propan-2-ylcyclohexan-1-amine is CC(C)C1CCCC(N)(c2c(F)cccc2F)C1.
What is the InChIKey of 1-(2,6-difluorophenyl)-3-propan-2-ylcyclohexan-1-amine?
The InChIKey is UKMPAQCRHSOPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N/c1-10(2)11-5-4-8-15(18,9-11)14-12(16)6-3-7-13(14)17/h3,6-7,10-11H,4-5,8-9,18H2,1-2H3.
What are the key properties of 1-(2,6-difluorophenyl)-3-propan-2-ylcyclohexan-1-amine?
1-(2,6-difluorophenyl)-3-propan-2-ylcyclohexan-1-amine has a molecular weight of 253.34 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-3-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 107450086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).