(5-chloro-2-methoxyphenyl)-[1-(methylaminomethyl)cyclopropyl]methanone

C13H16ClNO2 — CID 116921342

IUPAC(5-chloro-2-methoxyphenyl)-[1-(methylaminomethyl)cyclopropyl]methanone
SMILESCNCC1(C(=O)c2cc(Cl)ccc2OC)CC1
InChIInChI=1S/C13H16ClNO2/c1-15-8-13(5-6-13)12(16)10-7-9(14)3-4-11(10)17-2/h3-4,7,15H,5-6,8H2,1-2H3
InChIKeyXOKKCDOTBLTZPU-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.53
Rot. Bonds5

About (5-chloro-2-methoxyphenyl)-[1-(methylaminomethyl)cyclopropyl]methanone

(5-chloro-2-methoxyphenyl)-[1-(methylaminomethyl)cyclopropyl]methanone (PubChem CID 116921342) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)-[1-(methylaminomethyl)cyclopropyl]methanone.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)-[1-(methylaminomethyl)cyclopropyl]methanone
PubChem CID116921342
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name(5-chloro-2-methoxyphenyl)-[1-(methylaminomethyl)cyclopropyl]methanone
SMILESCNCC1(C(=O)c2cc(Cl)ccc2OC)CC1
InChIInChI=1S/C13H16ClNO2/c1-15-8-13(5-6-13)12(16)10-7-9(14)3-4-11(10)17-2/h3-4,7,15H,5-6,8H2,1-2H3
InChIKeyXOKKCDOTBLTZPU-UHFFFAOYSA-N
XLogP2.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(aminomethyl)cyclopropyl]-(5-chloro-2-methoxyphenyl)methanone
CID 116601328
(5-chloro-2-methoxyphenyl)-[1-(hydroxymethyl)cyclobutyl]methanone
CID 116921922
1-(5-chloro-2-methoxyphenyl)-2-(methylamino)ethanone
CID 82078374
(1-aminocyclohexyl)-(5-chloro-2-methoxyphenyl)methanone
CID 116550581
(2,5-difluorophenyl)-[1-(methylaminomethyl)cyclopropyl]methanone
CID 116921363
(5-chloro-2-methoxyphenyl)-[1-(dimethylamino)cyclohexyl]methanone
CID 79066338
(2,5-dimethoxyphenyl)-[1-(hydroxymethyl)cyclopropyl]methanone
CID 116921076
5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079
[1-(4-aminophenyl)cyclopropyl]-(5-chloro-2-methoxyphenyl)methanone
CID 116611778
5-chloro-2-methoxybenzoate
CID 6933314
(6-methoxynaphthalen-2-yl)-[1-(methylaminomethyl)cyclopropyl]methanone
CID 116921451
2-(1-aminocyclobutyl)-1-(5-chloro-2-methoxyphenyl)ethanone
CID 116591329

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)-[1-(methylaminomethyl)cyclopropyl]methanone?
The IUPAC name of (5-chloro-2-methoxyphenyl)-[1-(methylaminomethyl)cyclopropyl]methanone (CID 116921342) is (5-chloro-2-methoxyphenyl)-[1-(methylaminomethyl)cyclopropyl]methanone.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)-[1-(methylaminomethyl)cyclopropyl]methanone?
The canonical SMILES for (5-chloro-2-methoxyphenyl)-[1-(methylaminomethyl)cyclopropyl]methanone is CNCC1(C(=O)c2cc(Cl)ccc2OC)CC1.
What is the InChIKey of (5-chloro-2-methoxyphenyl)-[1-(methylaminomethyl)cyclopropyl]methanone?
The InChIKey is XOKKCDOTBLTZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c1-15-8-13(5-6-13)12(16)10-7-9(14)3-4-11(10)17-2/h3-4,7,15H,5-6,8H2,1-2H3.
What are the key properties of (5-chloro-2-methoxyphenyl)-[1-(methylaminomethyl)cyclopropyl]methanone?
(5-chloro-2-methoxyphenyl)-[1-(methylaminomethyl)cyclopropyl]methanone has a molecular weight of 253.73 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)-[1-(methylaminomethyl)cyclopropyl]methanone is sourced from PubChem (CID 116921342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).