(1-aminocyclopropyl)-(4,5-dimethoxy-2-methylphenyl)methanone

C13H17NO3 — CID 116924321

IUPAC(1-aminocyclopropyl)-(4,5-dimethoxy-2-methylphenyl)methanone
SMILESCOc1cc(C)c(C(=O)C2(N)CC2)cc1OC
InChIInChI=1S/C13H17NO3/c1-8-6-10(16-2)11(17-3)7-9(8)12(15)13(14)4-5-13/h6-7H,4-5,14H2,1-3H3
InChIKeyJQEOMGIBWADRLE-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.69
Rot. Bonds4

About (1-aminocyclopropyl)-(4,5-dimethoxy-2-methylphenyl)methanone

(1-aminocyclopropyl)-(4,5-dimethoxy-2-methylphenyl)methanone (PubChem CID 116924321) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is (1-aminocyclopropyl)-(4,5-dimethoxy-2-methylphenyl)methanone.

Molecular Properties

Compound Name(1-aminocyclopropyl)-(4,5-dimethoxy-2-methylphenyl)methanone
PubChem CID116924321
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name(1-aminocyclopropyl)-(4,5-dimethoxy-2-methylphenyl)methanone
SMILESCOc1cc(C)c(C(=O)C2(N)CC2)cc1OC
InChIInChI=1S/C13H17NO3/c1-8-6-10(16-2)11(17-3)7-9(8)12(15)13(14)4-5-13/h6-7H,4-5,14H2,1-3H3
InChIKeyJQEOMGIBWADRLE-UHFFFAOYSA-N
XLogP1.69
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-aminocyclopropyl)-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanone
CID 116924291
(4,5-dimethoxy-2-methylphenyl)-[1-(hydroxymethyl)cyclopropyl]methanone
CID 116921139
(1-aminocyclopentyl)-(2,4,5-trimethylphenyl)methanone
CID 116558695
1-(4,5-dimethoxy-2-methylbenzoyl)cyclopropane-1-carbonitrile
CID 116920860
(1-aminocyclopropyl)-(5-bromo-2-methoxyphenyl)methanone
CID 116924286
(1-aminocyclopropyl)-(5-tert-butyl-2-methoxyphenyl)methanone
CID 116924278
(1-aminocyclopropyl)-(2,3-dichloro-4-methoxyphenyl)methanone
CID 116924357
4,5-dimethoxy-2-methylbenzoyl bromide
CID 116924582
(1-aminocyclopropyl)-(2,6-dimethoxyphenyl)methanone
CID 116811529
(4-aminooxan-4-yl)-(4-methoxy-2-methylphenyl)methanone
CID 116604665
3-(4,5-dimethoxy-2-methylbenzoyl)oxetane-3-carbonitrile
CID 116922287
(1-methoxycyclopentyl)-(4-methoxy-2,5-dimethylphenyl)methanone
CID 104610261

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopropyl)-(4,5-dimethoxy-2-methylphenyl)methanone?
The IUPAC name of (1-aminocyclopropyl)-(4,5-dimethoxy-2-methylphenyl)methanone (CID 116924321) is (1-aminocyclopropyl)-(4,5-dimethoxy-2-methylphenyl)methanone.
What is the SMILES notation for (1-aminocyclopropyl)-(4,5-dimethoxy-2-methylphenyl)methanone?
The canonical SMILES for (1-aminocyclopropyl)-(4,5-dimethoxy-2-methylphenyl)methanone is COc1cc(C)c(C(=O)C2(N)CC2)cc1OC.
What is the InChIKey of (1-aminocyclopropyl)-(4,5-dimethoxy-2-methylphenyl)methanone?
The InChIKey is JQEOMGIBWADRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-8-6-10(16-2)11(17-3)7-9(8)12(15)13(14)4-5-13/h6-7H,4-5,14H2,1-3H3.
What are the key properties of (1-aminocyclopropyl)-(4,5-dimethoxy-2-methylphenyl)methanone?
(1-aminocyclopropyl)-(4,5-dimethoxy-2-methylphenyl)methanone has a molecular weight of 235.28 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopropyl)-(4,5-dimethoxy-2-methylphenyl)methanone is sourced from PubChem (CID 116924321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).