[3-(aminomethyl)azetidin-1-yl]-(3-phenoxyphenyl)methanone

C17H18N2O2 — CID 71730904

IUPAC[3-(aminomethyl)azetidin-1-yl]-(3-phenoxyphenyl)methanone
SMILESNCC1CN(C(=O)c2cccc(Oc3ccccc3)c2)C1
InChIInChI=1S/C17H18N2O2/c18-10-13-11-19(12-13)17(20)14-5-4-8-16(9-14)21-15-6-2-1-3-7-15/h1-9,13H,10-12,18H2
InChIKeyKTRSLXJXXDNAOD-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.51
Rot. Bonds4

About [3-(aminomethyl)azetidin-1-yl]-(3-phenoxyphenyl)methanone

[3-(aminomethyl)azetidin-1-yl]-(3-phenoxyphenyl)methanone (PubChem CID 71730904) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is [3-(aminomethyl)azetidin-1-yl]-(3-phenoxyphenyl)methanone.

Molecular Properties

Compound Name[3-(aminomethyl)azetidin-1-yl]-(3-phenoxyphenyl)methanone
PubChem CID71730904
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name[3-(aminomethyl)azetidin-1-yl]-(3-phenoxyphenyl)methanone
SMILESNCC1CN(C(=O)c2cccc(Oc3ccccc3)c2)C1
InChIInChI=1S/C17H18N2O2/c18-10-13-11-19(12-13)17(20)14-5-4-8-16(9-14)21-15-6-2-1-3-7-15/h1-9,13H,10-12,18H2
InChIKeyKTRSLXJXXDNAOD-UHFFFAOYSA-N
XLogP2.51
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(aminomethyl)pyrrolidin-1-yl]-(3-phenoxyphenyl)methanone
CID 126782744
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(3-phenoxyphenyl)methanone
CID 120655666
[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanone
CID 124611387
[2-(aminomethyl)piperidin-1-yl]-(3-phenoxyphenyl)methanone;hydrochloride
CID 119467327
(3S,4S)-1-(3-phenoxybenzoyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120951795
[3-(aminomethyl)pyrrolidin-1-yl]-(3-propan-2-yloxyphenyl)methanone
CID 62918972
[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-[4-(3-chlorophenoxy)phenyl]methanone
CID 124612110
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-phenoxyphenyl)methanone;hydrochloride
CID 120806066
[3-(aminomethyl)pyrrolidin-1-yl]-[3-(3-methoxypropoxy)phenyl]methanone
CID 119484172
[(2S)-2-(aminomethyl)piperidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone
CID 125135136
[(3R)-3-aminopyrrolidin-1-yl]-[3-(2-phenylethoxy)phenyl]methanone
CID 125448030
[3-(aminomethyl)azetidin-1-yl]-(4-aminophenyl)methanone
CID 123420430

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)azetidin-1-yl]-(3-phenoxyphenyl)methanone?
The IUPAC name of [3-(aminomethyl)azetidin-1-yl]-(3-phenoxyphenyl)methanone (CID 71730904) is [3-(aminomethyl)azetidin-1-yl]-(3-phenoxyphenyl)methanone.
What is the SMILES notation for [3-(aminomethyl)azetidin-1-yl]-(3-phenoxyphenyl)methanone?
The canonical SMILES for [3-(aminomethyl)azetidin-1-yl]-(3-phenoxyphenyl)methanone is NCC1CN(C(=O)c2cccc(Oc3ccccc3)c2)C1.
What is the InChIKey of [3-(aminomethyl)azetidin-1-yl]-(3-phenoxyphenyl)methanone?
The InChIKey is KTRSLXJXXDNAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c18-10-13-11-19(12-13)17(20)14-5-4-8-16(9-14)21-15-6-2-1-3-7-15/h1-9,13H,10-12,18H2.
What are the key properties of [3-(aminomethyl)azetidin-1-yl]-(3-phenoxyphenyl)methanone?
[3-(aminomethyl)azetidin-1-yl]-(3-phenoxyphenyl)methanone has a molecular weight of 282.34 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)azetidin-1-yl]-(3-phenoxyphenyl)methanone is sourced from PubChem (CID 71730904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).