2-[3-(phenylmethoxymethyl)cyclobutyl]oxyethanamine

C14H21NO2 — CID 166118396

IUPAC2-[3-(phenylmethoxymethyl)cyclobutyl]oxyethanamine
SMILESNCCOC1CC(COCc2ccccc2)C1
InChIInChI=1S/C14H21NO2/c15-6-7-17-14-8-13(9-14)11-16-10-12-4-2-1-3-5-12/h1-5,13-14H,6-11,15H2
InChIKeyMESVYBWYBDVJAW-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.96
Rot. Bonds7

About 2-[3-(phenylmethoxymethyl)cyclobutyl]oxyethanamine

2-[3-(phenylmethoxymethyl)cyclobutyl]oxyethanamine (PubChem CID 166118396) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[3-(phenylmethoxymethyl)cyclobutyl]oxyethanamine.

Molecular Properties

Compound Name2-[3-(phenylmethoxymethyl)cyclobutyl]oxyethanamine
PubChem CID166118396
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-[3-(phenylmethoxymethyl)cyclobutyl]oxyethanamine
SMILESNCCOC1CC(COCc2ccccc2)C1
InChIInChI=1S/C14H21NO2/c15-6-7-17-14-8-13(9-14)11-16-10-12-4-2-1-3-5-12/h1-5,13-14H,6-11,15H2
InChIKeyMESVYBWYBDVJAW-UHFFFAOYSA-N
XLogP1.96
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(phenylmethoxymethyl)cyclobutyl]oxyacetic acid
CID 155437936
trans-(1R,2R)-4-(phenylmethoxymethyl)cyclopentane-1,2-diamine
CID 57481680
4-(phenylmethoxymethyl)cyclopentane-1,2-diol
CID 12717277
(3-propan-2-yloxycyclobutyl)methoxymethylbenzene
CID 160749410
[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 100982245
cis-(1R,3S)-3-(phenylmethoxymethyl)cyclopentan-1-amine
CID 86659751
ethane;2-phenylmethoxyethanamine
CID 142016503
2-(cyclopropylmethoxy)ethoxymethylbenzene
CID 54083813
(3-azidocyclobutyl)methoxymethylbenzene
CID 86035077
methyl 2-[3-(phenylmethoxymethyl)cyclobutyl]acetate
CID 59252300
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
3-(phenylmethoxymethyl)cyclobutan-1-one
CID 11819850

Frequently Asked Questions

What is the IUPAC name of 2-[3-(phenylmethoxymethyl)cyclobutyl]oxyethanamine?
The IUPAC name of 2-[3-(phenylmethoxymethyl)cyclobutyl]oxyethanamine (CID 166118396) is 2-[3-(phenylmethoxymethyl)cyclobutyl]oxyethanamine.
What is the SMILES notation for 2-[3-(phenylmethoxymethyl)cyclobutyl]oxyethanamine?
The canonical SMILES for 2-[3-(phenylmethoxymethyl)cyclobutyl]oxyethanamine is NCCOC1CC(COCc2ccccc2)C1.
What is the InChIKey of 2-[3-(phenylmethoxymethyl)cyclobutyl]oxyethanamine?
The InChIKey is MESVYBWYBDVJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c15-6-7-17-14-8-13(9-14)11-16-10-12-4-2-1-3-5-12/h1-5,13-14H,6-11,15H2.
What are the key properties of 2-[3-(phenylmethoxymethyl)cyclobutyl]oxyethanamine?
2-[3-(phenylmethoxymethyl)cyclobutyl]oxyethanamine has a molecular weight of 235.33 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(phenylmethoxymethyl)cyclobutyl]oxyethanamine is sourced from PubChem (CID 166118396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).