2-(2,5-difluorophenyl)-4-propan-2-ylcyclohexan-1-amine

C15H21F2N — CID 81013651

IUPAC2-(2,5-difluorophenyl)-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(N)C(c2cc(F)ccc2F)C1
InChIInChI=1S/C15H21F2N/c1-9(2)10-3-6-15(18)13(7-10)12-8-11(16)4-5-14(12)17/h4-5,8-10,13,15H,3,6-7,18H2,1-2H3
InChIKeyDKXFBOOCLGFXQD-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.83
Rot. Bonds2

About 2-(2,5-difluorophenyl)-4-propan-2-ylcyclohexan-1-amine

2-(2,5-difluorophenyl)-4-propan-2-ylcyclohexan-1-amine (PubChem CID 81013651) has the molecular formula C15H21F2N and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-4-propan-2-ylcyclohexan-1-amine
PubChem CID81013651
Molecular FormulaC15H21F2N
Molecular Weight253.34 g/mol
Exact Mass253.16
IUPAC Name2-(2,5-difluorophenyl)-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(N)C(c2cc(F)ccc2F)C1
InChIInChI=1S/C15H21F2N/c1-9(2)10-3-6-15(18)13(7-10)12-8-11(16)4-5-14(12)17/h4-5,8-10,13,15H,3,6-7,18H2,1-2H3
InChIKeyDKXFBOOCLGFXQD-UHFFFAOYSA-N
XLogP3.83
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 ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 2-(2,5-difluorophenyl)-4-propan-2-ylcyclohexan-1-amine (CID 81013651) is 2-(2,5-difluorophenyl)-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 2-(2,5-difluorophenyl)-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 2-(2,5-difluorophenyl)-4-propan-2-ylcyclohexan-1-amine is CC(C)C1CCC(N)C(c2cc(F)ccc2F)C1.
What is the InChIKey of 2-(2,5-difluorophenyl)-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is DKXFBOOCLGFXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N/c1-9(2)10-3-6-15(18)13(7-10)12-8-11(16)4-5-14(12)17/h4-5,8-10,13,15H,3,6-7,18H2,1-2H3.
What are the key properties of 2-(2,5-difluorophenyl)-4-propan-2-ylcyclohexan-1-amine?
2-(2,5-difluorophenyl)-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 253.34 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 81013651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).