(1-aminocyclopropyl)-(4-cyclopropyloxyphenyl)methanone

C13H15NO2 — CID 114520626

IUPAC(1-aminocyclopropyl)-(4-cyclopropyloxyphenyl)methanone
SMILESNC1(C(=O)c2ccc(OC3CC3)cc2)CC1
InChIInChI=1S/C13H15NO2/c14-13(7-8-13)12(15)9-1-3-10(4-2-9)16-11-5-6-11/h1-4,11H,5-8,14H2
InChIKeyAYASCEOUYXMBLH-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.90
Rot. Bonds4

About (1-aminocyclopropyl)-(4-cyclopropyloxyphenyl)methanone

(1-aminocyclopropyl)-(4-cyclopropyloxyphenyl)methanone (PubChem CID 114520626) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is (1-aminocyclopropyl)-(4-cyclopropyloxyphenyl)methanone.

Molecular Properties

Compound Name(1-aminocyclopropyl)-(4-cyclopropyloxyphenyl)methanone
PubChem CID114520626
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name(1-aminocyclopropyl)-(4-cyclopropyloxyphenyl)methanone
SMILESNC1(C(=O)c2ccc(OC3CC3)cc2)CC1
InChIInChI=1S/C13H15NO2/c14-13(7-8-13)12(15)9-1-3-10(4-2-9)16-11-5-6-11/h1-4,11H,5-8,14H2
InChIKeyAYASCEOUYXMBLH-UHFFFAOYSA-N
XLogP1.90
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-aminocyclobutyl)-(3-cyclopropyloxyphenyl)methanone
CID 114523853
(4-cyclopropyloxyphenyl)-(1-methylcyclohexyl)methanone
CID 106829738
(1-aminocyclopropyl)-(4-sulfanylphenyl)methanone
CID 170744345
ethyl 1-amino-3-(4-methoxyphenoxy)cyclopentane-1-carboxylate
CID 79649236
4-cycloheptyloxybenzamide
CID 141109251
(1-amino-3-methylcyclohexyl)-(3-cyclopropyloxyphenyl)methanone
CID 114523783
1-amino-N-(4-cyclopentyloxyphenyl)cyclohexane-1-carboxamide
CID 119284690
(1-aminocyclopropyl)-(4-phenoxypiperidin-1-yl)methanone;hydrochloride
CID 119725071
(1-aminocyclopropyl)-[4-(trifluoromethyl)phenyl]methanone
CID 116576679
ethyl 4-(4-aminocyclohexyl)oxybenzoate
CID 16756169
(4-cyclopropyloxyphenyl)-(thiolan-2-yl)methanone
CID 114518933
7-bicyclo[4.1.0]heptanyl-(4-cyclopropyloxyphenyl)methanone
CID 115812900

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopropyl)-(4-cyclopropyloxyphenyl)methanone?
The IUPAC name of (1-aminocyclopropyl)-(4-cyclopropyloxyphenyl)methanone (CID 114520626) is (1-aminocyclopropyl)-(4-cyclopropyloxyphenyl)methanone.
What is the SMILES notation for (1-aminocyclopropyl)-(4-cyclopropyloxyphenyl)methanone?
The canonical SMILES for (1-aminocyclopropyl)-(4-cyclopropyloxyphenyl)methanone is NC1(C(=O)c2ccc(OC3CC3)cc2)CC1.
What is the InChIKey of (1-aminocyclopropyl)-(4-cyclopropyloxyphenyl)methanone?
The InChIKey is AYASCEOUYXMBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c14-13(7-8-13)12(15)9-1-3-10(4-2-9)16-11-5-6-11/h1-4,11H,5-8,14H2.
What are the key properties of (1-aminocyclopropyl)-(4-cyclopropyloxyphenyl)methanone?
(1-aminocyclopropyl)-(4-cyclopropyloxyphenyl)methanone has a molecular weight of 217.27 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopropyl)-(4-cyclopropyloxyphenyl)methanone is sourced from PubChem (CID 114520626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).