N-[[3-tert-butyl-1-(3,5-difluorophenyl)cyclobutyl]methyl]propan-1-amine

C18H27F2N — CID 65014884

IUPACN-[[3-tert-butyl-1-(3,5-difluorophenyl)cyclobutyl]methyl]propan-1-amine
SMILESCCCNCC1(c2cc(F)cc(F)c2)CC(C(C)(C)C)C1
InChIInChI=1S/C18H27F2N/c1-5-6-21-12-18(10-14(11-18)17(2,3)4)13-7-15(19)9-16(20)8-13/h7-9,14,21H,5-6,10-12H2,1-4H3
InChIKeyFFNZTLCYQWZLBP-UHFFFAOYSA-N
MW295.42 g/mol
LogP4.66
Rot. Bonds5

About N-[[3-tert-butyl-1-(3,5-difluorophenyl)cyclobutyl]methyl]propan-1-amine

N-[[3-tert-butyl-1-(3,5-difluorophenyl)cyclobutyl]methyl]propan-1-amine (PubChem CID 65014884) has the molecular formula C18H27F2N and a molecular weight of 295.42 g/mol. Its IUPAC name is N-[[3-tert-butyl-1-(3,5-difluorophenyl)cyclobutyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-tert-butyl-1-(3,5-difluorophenyl)cyclobutyl]methyl]propan-1-amine
PubChem CID65014884
Molecular FormulaC18H27F2N
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC NameN-[[3-tert-butyl-1-(3,5-difluorophenyl)cyclobutyl]methyl]propan-1-amine
SMILESCCCNCC1(c2cc(F)cc(F)c2)CC(C(C)(C)C)C1
InChIInChI=1S/C18H27F2N/c1-5-6-21-12-18(10-14(11-18)17(2,3)4)13-7-15(19)9-16(20)8-13/h7-9,14,21H,5-6,10-12H2,1-4H3
InChIKeyFFNZTLCYQWZLBP-UHFFFAOYSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[3-tert-butyl-1-(3,5-difluorophenyl)cyclobutyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-tert-butyl-1-(3,5-difluorophenyl)cyclobutyl]methyl]propan-1-amine (CID 65014884) is N-[[3-tert-butyl-1-(3,5-difluorophenyl)cyclobutyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-tert-butyl-1-(3,5-difluorophenyl)cyclobutyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-tert-butyl-1-(3,5-difluorophenyl)cyclobutyl]methyl]propan-1-amine is CCCNCC1(c2cc(F)cc(F)c2)CC(C(C)(C)C)C1.
What is the InChIKey of N-[[3-tert-butyl-1-(3,5-difluorophenyl)cyclobutyl]methyl]propan-1-amine?
The InChIKey is FFNZTLCYQWZLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F2N/c1-5-6-21-12-18(10-14(11-18)17(2,3)4)13-7-15(19)9-16(20)8-13/h7-9,14,21H,5-6,10-12H2,1-4H3.
What are the key properties of N-[[3-tert-butyl-1-(3,5-difluorophenyl)cyclobutyl]methyl]propan-1-amine?
N-[[3-tert-butyl-1-(3,5-difluorophenyl)cyclobutyl]methyl]propan-1-amine has a molecular weight of 295.42 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-tert-butyl-1-(3,5-difluorophenyl)cyclobutyl]methyl]propan-1-amine is sourced from PubChem (CID 65014884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).