(1-aminocyclobutyl)-(3-cyclopropyloxyphenyl)methanone

C14H17NO2 — CID 114523853

IUPAC(1-aminocyclobutyl)-(3-cyclopropyloxyphenyl)methanone
SMILESNC1(C(=O)c2cccc(OC3CC3)c2)CCC1
InChIInChI=1S/C14H17NO2/c15-14(7-2-8-14)13(16)10-3-1-4-12(9-10)17-11-5-6-11/h1,3-4,9,11H,2,5-8,15H2
InChIKeyHOZDZAFUIRLXSL-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.29
Rot. Bonds4

About (1-aminocyclobutyl)-(3-cyclopropyloxyphenyl)methanone

(1-aminocyclobutyl)-(3-cyclopropyloxyphenyl)methanone (PubChem CID 114523853) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is (1-aminocyclobutyl)-(3-cyclopropyloxyphenyl)methanone.

Molecular Properties

Compound Name(1-aminocyclobutyl)-(3-cyclopropyloxyphenyl)methanone
PubChem CID114523853
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name(1-aminocyclobutyl)-(3-cyclopropyloxyphenyl)methanone
SMILESNC1(C(=O)c2cccc(OC3CC3)c2)CCC1
InChIInChI=1S/C14H17NO2/c15-14(7-2-8-14)13(16)10-3-1-4-12(9-10)17-11-5-6-11/h1,3-4,9,11H,2,5-8,15H2
InChIKeyHOZDZAFUIRLXSL-UHFFFAOYSA-N
XLogP2.29
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-amino-3-methylcyclohexyl)-(3-cyclopropyloxyphenyl)methanone
CID 114523783
(1-aminocyclopropyl)-(4-cyclopropyloxyphenyl)methanone
CID 114520626
(3-cyclopropyloxyphenyl)-(1-ethoxycyclohexyl)methanone
CID 114521280
(3-cyclopropyloxyphenyl)-(1-methoxycycloheptyl)methanone
CID 114521285
3-cyclopentyloxybenzamide
CID 71932153
(1-aminocyclobutyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 116598545
(1-aminocyclopropyl)-(3-methoxyphenyl)methanone
CID 116576589
cyclooctyl-(3-cyclopropyloxyphenyl)methanone
CID 114521228
(1-aminocyclohexyl)-(3-propan-2-yloxyphenyl)methanone
CID 116550565
[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-[4-(3-cyclopropyloxyphenyl)phenyl]methanone
CID 118633877
1-(3-cyclohexyloxyphenyl)ethanone
CID 43208744
1-(3-cyclopropyloxyphenyl)propan-1-one
CID 114521082

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclobutyl)-(3-cyclopropyloxyphenyl)methanone?
The IUPAC name of (1-aminocyclobutyl)-(3-cyclopropyloxyphenyl)methanone (CID 114523853) is (1-aminocyclobutyl)-(3-cyclopropyloxyphenyl)methanone.
What is the SMILES notation for (1-aminocyclobutyl)-(3-cyclopropyloxyphenyl)methanone?
The canonical SMILES for (1-aminocyclobutyl)-(3-cyclopropyloxyphenyl)methanone is NC1(C(=O)c2cccc(OC3CC3)c2)CCC1.
What is the InChIKey of (1-aminocyclobutyl)-(3-cyclopropyloxyphenyl)methanone?
The InChIKey is HOZDZAFUIRLXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c15-14(7-2-8-14)13(16)10-3-1-4-12(9-10)17-11-5-6-11/h1,3-4,9,11H,2,5-8,15H2.
What are the key properties of (1-aminocyclobutyl)-(3-cyclopropyloxyphenyl)methanone?
(1-aminocyclobutyl)-(3-cyclopropyloxyphenyl)methanone has a molecular weight of 231.29 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclobutyl)-(3-cyclopropyloxyphenyl)methanone is sourced from PubChem (CID 114523853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).