1-[4-(2,4-difluorophenyl)cyclohexyl]-N,N-dimethyl-1-phenylmethanamine

C21H25F2N — CID 173065751

IUPAC1-[4-(2,4-difluorophenyl)cyclohexyl]-N,N-dimethyl-1-phenylmethanamine
SMILESCN(C)C(c1ccccc1)C1CCC(c2ccc(F)cc2F)CC1
InChIInChI=1S/C21H25F2N/c1-24(2)21(16-6-4-3-5-7-16)17-10-8-15(9-11-17)19-13-12-18(22)14-20(19)23/h3-7,12-15,17,21H,8-11H2,1-2H3
InChIKeyFBUSOJAMHHDRIG-UHFFFAOYSA-N
MW329.43 g/mol
LogP5.54
Rot. Bonds4

About 1-[4-(2,4-difluorophenyl)cyclohexyl]-N,N-dimethyl-1-phenylmethanamine

1-[4-(2,4-difluorophenyl)cyclohexyl]-N,N-dimethyl-1-phenylmethanamine (PubChem CID 173065751) has the molecular formula C21H25F2N and a molecular weight of 329.43 g/mol. Its IUPAC name is 1-[4-(2,4-difluorophenyl)cyclohexyl]-N,N-dimethyl-1-phenylmethanamine.

Molecular Properties

Compound Name1-[4-(2,4-difluorophenyl)cyclohexyl]-N,N-dimethyl-1-phenylmethanamine
PubChem CID173065751
Molecular FormulaC21H25F2N
Molecular Weight329.43 g/mol
Exact Mass329.20
IUPAC Name1-[4-(2,4-difluorophenyl)cyclohexyl]-N,N-dimethyl-1-phenylmethanamine
SMILESCN(C)C(c1ccccc1)C1CCC(c2ccc(F)cc2F)CC1
InChIInChI=1S/C21H25F2N/c1-24(2)21(16-6-4-3-5-7-16)17-10-8-15(9-11-17)19-13-12-18(22)14-20(19)23/h3-7,12-15,17,21H,8-11H2,1-2H3
InChIKeyFBUSOJAMHHDRIG-UHFFFAOYSA-N
XLogP5.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.43
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4-difluorophenyl)cyclohexyl]-N,N-dimethyl-1-phenylmethanamine?
The IUPAC name of 1-[4-(2,4-difluorophenyl)cyclohexyl]-N,N-dimethyl-1-phenylmethanamine (CID 173065751) is 1-[4-(2,4-difluorophenyl)cyclohexyl]-N,N-dimethyl-1-phenylmethanamine.
What is the SMILES notation for 1-[4-(2,4-difluorophenyl)cyclohexyl]-N,N-dimethyl-1-phenylmethanamine?
The canonical SMILES for 1-[4-(2,4-difluorophenyl)cyclohexyl]-N,N-dimethyl-1-phenylmethanamine is CN(C)C(c1ccccc1)C1CCC(c2ccc(F)cc2F)CC1.
What is the InChIKey of 1-[4-(2,4-difluorophenyl)cyclohexyl]-N,N-dimethyl-1-phenylmethanamine?
The InChIKey is FBUSOJAMHHDRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2N/c1-24(2)21(16-6-4-3-5-7-16)17-10-8-15(9-11-17)19-13-12-18(22)14-20(19)23/h3-7,12-15,17,21H,8-11H2,1-2H3.
What are the key properties of 1-[4-(2,4-difluorophenyl)cyclohexyl]-N,N-dimethyl-1-phenylmethanamine?
1-[4-(2,4-difluorophenyl)cyclohexyl]-N,N-dimethyl-1-phenylmethanamine has a molecular weight of 329.43 g/mol, XLogP of 5.54, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4-difluorophenyl)cyclohexyl]-N,N-dimethyl-1-phenylmethanamine is sourced from PubChem (CID 173065751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).