N-benzhydryl-4-(2,4-difluorophenyl)cyclohexan-1-amine

C25H25F2N — CID 69280888

IUPACN-benzhydryl-4-(2,4-difluorophenyl)cyclohexan-1-amine
SMILESFc1ccc(C2CCC(NC(c3ccccc3)c3ccccc3)CC2)c(F)c1
InChIInChI=1S/C25H25F2N/c26-21-13-16-23(24(27)17-21)18-11-14-22(15-12-18)28-25(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,13,16-18,22,25,28H,11-12,14-15H2
InChIKeyAZJJALMBJSQBRF-UHFFFAOYSA-N
MW377.48 g/mol
LogP6.37
Rot. Bonds5

About N-benzhydryl-4-(2,4-difluorophenyl)cyclohexan-1-amine

N-benzhydryl-4-(2,4-difluorophenyl)cyclohexan-1-amine (PubChem CID 69280888) has the molecular formula C25H25F2N and a molecular weight of 377.48 g/mol. Its IUPAC name is N-benzhydryl-4-(2,4-difluorophenyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-benzhydryl-4-(2,4-difluorophenyl)cyclohexan-1-amine
PubChem CID69280888
Molecular FormulaC25H25F2N
Molecular Weight377.48 g/mol
Exact Mass377.20
IUPAC NameN-benzhydryl-4-(2,4-difluorophenyl)cyclohexan-1-amine
SMILESFc1ccc(C2CCC(NC(c3ccccc3)c3ccccc3)CC2)c(F)c1
InChIInChI=1S/C25H25F2N/c26-21-13-16-23(24(27)17-21)18-11-14-22(15-12-18)28-25(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,13,16-18,22,25,28H,11-12,14-15H2
InChIKeyAZJJALMBJSQBRF-UHFFFAOYSA-N
XLogP6.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.48
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-4-(2,4-difluorophenyl)cyclohexan-1-amine?
The IUPAC name of N-benzhydryl-4-(2,4-difluorophenyl)cyclohexan-1-amine (CID 69280888) is N-benzhydryl-4-(2,4-difluorophenyl)cyclohexan-1-amine.
What is the SMILES notation for N-benzhydryl-4-(2,4-difluorophenyl)cyclohexan-1-amine?
The canonical SMILES for N-benzhydryl-4-(2,4-difluorophenyl)cyclohexan-1-amine is Fc1ccc(C2CCC(NC(c3ccccc3)c3ccccc3)CC2)c(F)c1.
What is the InChIKey of N-benzhydryl-4-(2,4-difluorophenyl)cyclohexan-1-amine?
The InChIKey is AZJJALMBJSQBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N/c26-21-13-16-23(24(27)17-21)18-11-14-22(15-12-18)28-25(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,13,16-18,22,25,28H,11-12,14-15H2.
What are the key properties of N-benzhydryl-4-(2,4-difluorophenyl)cyclohexan-1-amine?
N-benzhydryl-4-(2,4-difluorophenyl)cyclohexan-1-amine has a molecular weight of 377.48 g/mol, XLogP of 6.37, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-4-(2,4-difluorophenyl)cyclohexan-1-amine is sourced from PubChem (CID 69280888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).