N-[[1-(3,5-difluorophenyl)-3-propan-2-ylcyclobutyl]methyl]propan-2-amine

C17H25F2N — CID 65017352

IUPACN-[[1-(3,5-difluorophenyl)-3-propan-2-ylcyclobutyl]methyl]propan-2-amine
SMILESCC(C)NCC1(c2cc(F)cc(F)c2)CC(C(C)C)C1
InChIInChI=1S/C17H25F2N/c1-11(2)13-8-17(9-13,10-20-12(3)4)14-5-15(18)7-16(19)6-14/h5-7,11-13,20H,8-10H2,1-4H3
InChIKeyCTQIUKLUAXOTBP-UHFFFAOYSA-N
MW281.39 g/mol
LogP4.27
Rot. Bonds5

About N-[[1-(3,5-difluorophenyl)-3-propan-2-ylcyclobutyl]methyl]propan-2-amine

N-[[1-(3,5-difluorophenyl)-3-propan-2-ylcyclobutyl]methyl]propan-2-amine (PubChem CID 65017352) has the molecular formula C17H25F2N and a molecular weight of 281.39 g/mol. Its IUPAC name is N-[[1-(3,5-difluorophenyl)-3-propan-2-ylcyclobutyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(3,5-difluorophenyl)-3-propan-2-ylcyclobutyl]methyl]propan-2-amine
PubChem CID65017352
Molecular FormulaC17H25F2N
Molecular Weight281.39 g/mol
Exact Mass281.20
IUPAC NameN-[[1-(3,5-difluorophenyl)-3-propan-2-ylcyclobutyl]methyl]propan-2-amine
SMILESCC(C)NCC1(c2cc(F)cc(F)c2)CC(C(C)C)C1
InChIInChI=1S/C17H25F2N/c1-11(2)13-8-17(9-13,10-20-12(3)4)14-5-15(18)7-16(19)6-14/h5-7,11-13,20H,8-10H2,1-4H3
InChIKeyCTQIUKLUAXOTBP-UHFFFAOYSA-N
XLogP4.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.39
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,5-difluorophenyl)-3-propan-2-ylcyclobutyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(3,5-difluorophenyl)-3-propan-2-ylcyclobutyl]methyl]propan-2-amine (CID 65017352) is N-[[1-(3,5-difluorophenyl)-3-propan-2-ylcyclobutyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(3,5-difluorophenyl)-3-propan-2-ylcyclobutyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(3,5-difluorophenyl)-3-propan-2-ylcyclobutyl]methyl]propan-2-amine is CC(C)NCC1(c2cc(F)cc(F)c2)CC(C(C)C)C1.
What is the InChIKey of N-[[1-(3,5-difluorophenyl)-3-propan-2-ylcyclobutyl]methyl]propan-2-amine?
The InChIKey is CTQIUKLUAXOTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2N/c1-11(2)13-8-17(9-13,10-20-12(3)4)14-5-15(18)7-16(19)6-14/h5-7,11-13,20H,8-10H2,1-4H3.
What are the key properties of N-[[1-(3,5-difluorophenyl)-3-propan-2-ylcyclobutyl]methyl]propan-2-amine?
N-[[1-(3,5-difluorophenyl)-3-propan-2-ylcyclobutyl]methyl]propan-2-amine has a molecular weight of 281.39 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,5-difluorophenyl)-3-propan-2-ylcyclobutyl]methyl]propan-2-amine is sourced from PubChem (CID 65017352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).