N-[[1-[(3-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine

C14H20FN — CID 65194315

IUPACN-[[1-[(3-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine
SMILESCCNCC1(Cc2cccc(F)c2)CCC1
InChIInChI=1S/C14H20FN/c1-2-16-11-14(7-4-8-14)10-12-5-3-6-13(15)9-12/h3,5-6,9,16H,2,4,7-8,10-11H2,1H3
InChIKeyXPRABTUNESGHPP-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.15
Rot. Bonds5

About N-[[1-[(3-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine

N-[[1-[(3-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine (PubChem CID 65194315) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is N-[[1-[(3-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(3-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine
PubChem CID65194315
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC NameN-[[1-[(3-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine
SMILESCCNCC1(Cc2cccc(F)c2)CCC1
InChIInChI=1S/C14H20FN/c1-2-16-11-14(7-4-8-14)10-12-5-3-6-13(15)9-12/h3,5-6,9,16H,2,4,7-8,10-11H2,1H3
InChIKeyXPRABTUNESGHPP-UHFFFAOYSA-N
XLogP3.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[3-[(3-fluorophenyl)methyl]-1,1-dioxothiolan-3-yl]methyl]ethanamine
CID 55209221
N-[[1-[(3,4-difluorophenyl)methyl]cyclobutyl]methyl]ethanamine
CID 82929520
N-[[1-[(3-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine
CID 66026247
N-[[1-[(3-bromo-4-fluorophenyl)methyl]cyclopentyl]methyl]ethanamine
CID 63508188
N-[[1-[(2-bromo-5-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine
CID 65194817
N-[[1-[(2-bromo-4-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine
CID 65194197
N-[[2-[(3-fluorophenyl)methyl]-2-methylcyclopropyl]methyl]ethanamine
CID 114834482
N-[[1-[(4-iodophenyl)methyl]cyclobutyl]methyl]ethanamine
CID 65491516
N-[[1-[(4-methylphenyl)methyl]cyclopentyl]methyl]ethanamine
CID 62724999
N-[[1-[(2,3-difluorophenyl)methyl]cyclohexyl]methyl]ethanamine
CID 55106547
N-[[1-[(4-fluoro-2-methylphenyl)methyl]cyclopropyl]methyl]ethanamine
CID 114348910
N-[[1-[(2-fluorophenyl)methyl]cyclohexyl]methyl]ethanamine
CID 62726182

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine?
The IUPAC name of N-[[1-[(3-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine (CID 65194315) is N-[[1-[(3-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(3-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(3-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine is CCNCC1(Cc2cccc(F)c2)CCC1.
What is the InChIKey of N-[[1-[(3-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine?
The InChIKey is XPRABTUNESGHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-2-16-11-14(7-4-8-14)10-12-5-3-6-13(15)9-12/h3,5-6,9,16H,2,4,7-8,10-11H2,1H3.
What are the key properties of N-[[1-[(3-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine?
N-[[1-[(3-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine has a molecular weight of 221.32 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine is sourced from PubChem (CID 65194315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).