N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine

C15H22FN — CID 62595679

IUPACN-[[1-(4-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(c2ccc(F)cc2)CCC1
InChIInChI=1S/C15H22FN/c1-14(2,3)17-11-15(9-4-10-15)12-5-7-13(16)8-6-12/h5-8,17H,4,9-11H2,1-3H3
InChIKeyXPBWDAHPFDWRRA-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.64
Rot. Bonds3

About N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine

N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine (PubChem CID 62595679) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
PubChem CID62595679
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC NameN-[[1-(4-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(c2ccc(F)cc2)CCC1
InChIInChI=1S/C15H22FN/c1-14(2,3)17-11-15(9-4-10-15)12-5-7-13(16)8-6-12/h5-8,17H,4,9-11H2,1-3H3
InChIKeyXPBWDAHPFDWRRA-UHFFFAOYSA-N
XLogP3.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[1-(4-bromophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 55091756
N-[[3,3-diethyl-1-(4-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 65003671
2-methyl-N-[(1-phenylcyclopentyl)methyl]propan-2-amine
CID 55091317
N-[[1-(2-chloro-4-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 63038452
1-[1-(4-fluorophenyl)cyclohexyl]-N-methylmethanamine
CID 58954797
N-[[1-(2,4-difluorophenyl)cycloheptyl]methyl]-2-methylpropan-2-amine
CID 64561227
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]ethanamine
CID 62594197
N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine
CID 62595883
N-[[2-(4-bromophenyl)spiro[3.3]heptan-2-yl]methyl]-2-methylpropan-2-amine
CID 65009342
N-[[1-(4-ethoxyphenyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 63510236
N-[[1-(2-fluorophenyl)cycloheptyl]methyl]-2-methylpropan-2-amine
CID 63516012
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide
CID 87014302

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine (CID 62595679) is N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1(c2ccc(F)cc2)CCC1.
What is the InChIKey of N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine?
The InChIKey is XPBWDAHPFDWRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-14(2,3)17-11-15(9-4-10-15)12-5-7-13(16)8-6-12/h5-8,17H,4,9-11H2,1-3H3.
What are the key properties of N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine?
N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine has a molecular weight of 235.35 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62595679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).