N-[(4-fluorophenyl)methyl]-3-methoxycyclobutan-1-amine

C12H16FNO — CID 104587869

IUPACN-[(4-fluorophenyl)methyl]-3-methoxycyclobutan-1-amine
SMILESCOC1CC(NCc2ccc(F)cc2)C1
InChIInChI=1S/C12H16FNO/c1-15-12-6-11(7-12)14-8-9-2-4-10(13)5-3-9/h2-5,11-12,14H,6-8H2,1H3
InChIKeyAZZZQJKDWKAUEJ-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.09
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-3-methoxycyclobutan-1-amine

N-[(4-fluorophenyl)methyl]-3-methoxycyclobutan-1-amine (PubChem CID 104587869) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-methoxycyclobutan-1-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-methoxycyclobutan-1-amine
PubChem CID104587869
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC NameN-[(4-fluorophenyl)methyl]-3-methoxycyclobutan-1-amine
SMILESCOC1CC(NCc2ccc(F)cc2)C1
InChIInChI=1S/C12H16FNO/c1-15-12-6-11(7-12)14-8-9-2-4-10(13)5-3-9/h2-5,11-12,14H,6-8H2,1H3
InChIKeyAZZZQJKDWKAUEJ-UHFFFAOYSA-N
XLogP2.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-methoxycyclobutan-1-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-methoxycyclobutan-1-amine (CID 104587869) is N-[(4-fluorophenyl)methyl]-3-methoxycyclobutan-1-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-methoxycyclobutan-1-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-methoxycyclobutan-1-amine is COC1CC(NCc2ccc(F)cc2)C1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-methoxycyclobutan-1-amine?
The InChIKey is AZZZQJKDWKAUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-15-12-6-11(7-12)14-8-9-2-4-10(13)5-3-9/h2-5,11-12,14H,6-8H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-3-methoxycyclobutan-1-amine?
N-[(4-fluorophenyl)methyl]-3-methoxycyclobutan-1-amine has a molecular weight of 209.26 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-methoxycyclobutan-1-amine is sourced from PubChem (CID 104587869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).