N-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethyl]-1-methylcyclopentan-1-amine

C20H29F2N — CID 153338455

IUPACN-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethyl]-1-methylcyclopentan-1-amine
SMILESCC1(NCCC2CCC(c3ccc(F)cc3F)CC2)CCCC1
InChIInChI=1S/C20H29F2N/c1-20(11-2-3-12-20)23-13-10-15-4-6-16(7-5-15)18-9-8-17(21)14-19(18)22/h8-9,14-16,23H,2-7,10-13H2,1H3
InChIKeyAEXOZOJBWFCGOE-UHFFFAOYSA-N
MW321.45 g/mol
LogP5.55
Rot. Bonds5

About N-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethyl]-1-methylcyclopentan-1-amine

N-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethyl]-1-methylcyclopentan-1-amine (PubChem CID 153338455) has the molecular formula C20H29F2N and a molecular weight of 321.45 g/mol. Its IUPAC name is N-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethyl]-1-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethyl]-1-methylcyclopentan-1-amine
PubChem CID153338455
Molecular FormulaC20H29F2N
Molecular Weight321.45 g/mol
Exact Mass321.23
IUPAC NameN-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethyl]-1-methylcyclopentan-1-amine
SMILESCC1(NCCC2CCC(c3ccc(F)cc3F)CC2)CCCC1
InChIInChI=1S/C20H29F2N/c1-20(11-2-3-12-20)23-13-10-15-4-6-16(7-5-15)18-9-8-17(21)14-19(18)22/h8-9,14-16,23H,2-7,10-13H2,1H3
InChIKeyAEXOZOJBWFCGOE-UHFFFAOYSA-N
XLogP5.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.45
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethyl]-1-methylcyclopentan-1-amine?
The IUPAC name of N-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethyl]-1-methylcyclopentan-1-amine (CID 153338455) is N-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethyl]-1-methylcyclopentan-1-amine.
What is the SMILES notation for N-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethyl]-1-methylcyclopentan-1-amine?
The canonical SMILES for N-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethyl]-1-methylcyclopentan-1-amine is CC1(NCCC2CCC(c3ccc(F)cc3F)CC2)CCCC1.
What is the InChIKey of N-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethyl]-1-methylcyclopentan-1-amine?
The InChIKey is AEXOZOJBWFCGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29F2N/c1-20(11-2-3-12-20)23-13-10-15-4-6-16(7-5-15)18-9-8-17(21)14-19(18)22/h8-9,14-16,23H,2-7,10-13H2,1H3.
What are the key properties of N-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethyl]-1-methylcyclopentan-1-amine?
N-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethyl]-1-methylcyclopentan-1-amine has a molecular weight of 321.45 g/mol, XLogP of 5.55, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethyl]-1-methylcyclopentan-1-amine is sourced from PubChem (CID 153338455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).