[3-(aminomethyl)oxetan-3-yl]-naphthalen-2-ylmethanone

C15H15NO2 — CID 116922801

IUPAC[3-(aminomethyl)oxetan-3-yl]-naphthalen-2-ylmethanone
SMILESNCC1(C(=O)c2ccc3ccccc3c2)COC1
InChIInChI=1S/C15H15NO2/c16-8-15(9-18-10-15)14(17)13-6-5-11-3-1-2-4-12(11)7-13/h1-7H,8-10,16H2
InChIKeyBEDIPHLFJDRISJ-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.00
Rot. Bonds3

About [3-(aminomethyl)oxetan-3-yl]-naphthalen-2-ylmethanone

[3-(aminomethyl)oxetan-3-yl]-naphthalen-2-ylmethanone (PubChem CID 116922801) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is [3-(aminomethyl)oxetan-3-yl]-naphthalen-2-ylmethanone.

Molecular Properties

Compound Name[3-(aminomethyl)oxetan-3-yl]-naphthalen-2-ylmethanone
PubChem CID116922801
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name[3-(aminomethyl)oxetan-3-yl]-naphthalen-2-ylmethanone
SMILESNCC1(C(=O)c2ccc3ccccc3c2)COC1
InChIInChI=1S/C15H15NO2/c16-8-15(9-18-10-15)14(17)13-6-5-11-3-1-2-4-12(11)7-13/h1-7H,8-10,16H2
InChIKeyBEDIPHLFJDRISJ-UHFFFAOYSA-N
XLogP2.00
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(aminomethyl)oxetan-3-yl]-naphthalen-1-ylmethanone
CID 116922800
[1-(aminomethyl)-4-methylcyclohexyl]-naphthalen-2-ylmethanone
CID 116604104
1-naphthalen-2-yl-2-[4-(2-naphthalen-2-yl-2-oxoacetyl)phenyl]ethane-1,2-dione
CID 10939145
dinaphthalen-2-ylmethanone
CID 10945915
1,4-dinaphthalen-2-ylbutane-1,4-dione
CID 593323
N-(3-aminopropyl)naphthalene-2-carboxamide
CID 24691516
naphthalene-2-carboxylic acid
CID 175967775
[3-(aminomethyl)oxetan-3-yl]-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 116922745
[1-(aminomethyl)cyclobutyl]-phenylmethanone
CID 116600332
ethane;naphthalene-2-carbohydrazide
CID 91601372
naphthalene-2-carboxylic acid;dihydrochloride
CID 70357946
ethyl 3-naphthalen-2-yloxetane-3-carboxylate
CID 116875843

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)oxetan-3-yl]-naphthalen-2-ylmethanone?
The IUPAC name of [3-(aminomethyl)oxetan-3-yl]-naphthalen-2-ylmethanone (CID 116922801) is [3-(aminomethyl)oxetan-3-yl]-naphthalen-2-ylmethanone.
What is the SMILES notation for [3-(aminomethyl)oxetan-3-yl]-naphthalen-2-ylmethanone?
The canonical SMILES for [3-(aminomethyl)oxetan-3-yl]-naphthalen-2-ylmethanone is NCC1(C(=O)c2ccc3ccccc3c2)COC1.
What is the InChIKey of [3-(aminomethyl)oxetan-3-yl]-naphthalen-2-ylmethanone?
The InChIKey is BEDIPHLFJDRISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c16-8-15(9-18-10-15)14(17)13-6-5-11-3-1-2-4-12(11)7-13/h1-7H,8-10,16H2.
What are the key properties of [3-(aminomethyl)oxetan-3-yl]-naphthalen-2-ylmethanone?
[3-(aminomethyl)oxetan-3-yl]-naphthalen-2-ylmethanone has a molecular weight of 241.29 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)oxetan-3-yl]-naphthalen-2-ylmethanone is sourced from PubChem (CID 116922801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).