2-(2-chloro-5-fluorophenyl)-4,4-dimethylcyclohexan-1-amine

C14H19ClFN — CID 105396251

IUPAC2-(2-chloro-5-fluorophenyl)-4,4-dimethylcyclohexan-1-amine
SMILESCC1(C)CCC(N)C(c2cc(F)ccc2Cl)C1
InChIInChI=1S/C14H19ClFN/c1-14(2)6-5-13(17)11(8-14)10-7-9(16)3-4-12(10)15/h3-4,7,11,13H,5-6,8,17H2,1-2H3
InChIKeySIHJKMCSFZCCTP-UHFFFAOYSA-N
MW255.76 g/mol
LogP4.10
Rot. Bonds1

About 2-(2-chloro-5-fluorophenyl)-4,4-dimethylcyclohexan-1-amine

2-(2-chloro-5-fluorophenyl)-4,4-dimethylcyclohexan-1-amine (PubChem CID 105396251) has the molecular formula C14H19ClFN and a molecular weight of 255.76 g/mol. Its IUPAC name is 2-(2-chloro-5-fluorophenyl)-4,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2-chloro-5-fluorophenyl)-4,4-dimethylcyclohexan-1-amine
PubChem CID105396251
Molecular FormulaC14H19ClFN
Molecular Weight255.76 g/mol
Exact Mass255.12
IUPAC Name2-(2-chloro-5-fluorophenyl)-4,4-dimethylcyclohexan-1-amine
SMILESCC1(C)CCC(N)C(c2cc(F)ccc2Cl)C1
InChIInChI=1S/C14H19ClFN/c1-14(2)6-5-13(17)11(8-14)10-7-9(16)3-4-12(10)15/h3-4,7,11,13H,5-6,8,17H2,1-2H3
InChIKeySIHJKMCSFZCCTP-UHFFFAOYSA-N
XLogP4.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.76
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluorophenyl)-4,4-dimethylcyclohexan-1-amine?
The IUPAC name of 2-(2-chloro-5-fluorophenyl)-4,4-dimethylcyclohexan-1-amine (CID 105396251) is 2-(2-chloro-5-fluorophenyl)-4,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for 2-(2-chloro-5-fluorophenyl)-4,4-dimethylcyclohexan-1-amine?
The canonical SMILES for 2-(2-chloro-5-fluorophenyl)-4,4-dimethylcyclohexan-1-amine is CC1(C)CCC(N)C(c2cc(F)ccc2Cl)C1.
What is the InChIKey of 2-(2-chloro-5-fluorophenyl)-4,4-dimethylcyclohexan-1-amine?
The InChIKey is SIHJKMCSFZCCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFN/c1-14(2)6-5-13(17)11(8-14)10-7-9(16)3-4-12(10)15/h3-4,7,11,13H,5-6,8,17H2,1-2H3.
What are the key properties of 2-(2-chloro-5-fluorophenyl)-4,4-dimethylcyclohexan-1-amine?
2-(2-chloro-5-fluorophenyl)-4,4-dimethylcyclohexan-1-amine has a molecular weight of 255.76 g/mol, XLogP of 4.10, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-fluorophenyl)-4,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 105396251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).