(1-aminocyclopropyl)-(2,6-dimethoxyphenyl)methanone

C12H15NO3 — CID 116811529

IUPAC(1-aminocyclopropyl)-(2,6-dimethoxyphenyl)methanone
SMILESCOc1cccc(OC)c1C(=O)C1(N)CC1
InChIInChI=1S/C12H15NO3/c1-15-8-4-3-5-9(16-2)10(8)11(14)12(13)6-7-12/h3-5H,6-7,13H2,1-2H3
InChIKeyLKYZPIIKEKGCMW-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.38
Rot. Bonds4

About (1-aminocyclopropyl)-(2,6-dimethoxyphenyl)methanone

(1-aminocyclopropyl)-(2,6-dimethoxyphenyl)methanone (PubChem CID 116811529) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is (1-aminocyclopropyl)-(2,6-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name(1-aminocyclopropyl)-(2,6-dimethoxyphenyl)methanone
PubChem CID116811529
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name(1-aminocyclopropyl)-(2,6-dimethoxyphenyl)methanone
SMILESCOc1cccc(OC)c1C(=O)C1(N)CC1
InChIInChI=1S/C12H15NO3/c1-15-8-4-3-5-9(16-2)10(8)11(14)12(13)6-7-12/h3-5H,6-7,13H2,1-2H3
InChIKeyLKYZPIIKEKGCMW-UHFFFAOYSA-N
XLogP1.38
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-aminocyclopropyl)-(2-chloro-6-methoxyphenyl)methanone
CID 130730363
(1-aminocyclopropyl)-(3-methoxyphenyl)methanone
CID 116576589
(2,6-dimethoxyphenyl)-(1-ethylcyclopentyl)methanone
CID 115813399
(1-amino-4-hydroxycyclohexyl)-(2-methoxyphenyl)methanone
CID 175275653
(1-aminocyclopropyl)-(2,3-dichloro-4-methoxyphenyl)methanone
CID 116924357
(1-aminocyclopropyl)-(5-bromo-2-methoxyphenyl)methanone
CID 116924286
2-(1-aminocyclohexyl)-1-(2,6-dimethoxyphenyl)ethanone
CID 116811535
(1-aminocyclopropyl)-(4,5-dimethoxy-2-methylphenyl)methanone
CID 116924321
(2,6-dimethoxyphenyl)-(4-ethoxyoxan-4-yl)methanone
CID 116810111
(1-aminocyclopropyl)-(4-methoxy-3-propan-2-ylphenyl)methanone
CID 116924282
(1-aminocyclopropyl)-(5-tert-butyl-2-methoxyphenyl)methanone
CID 116924278
(2,6-dimethoxyphenyl)-(1-ethoxycyclohexyl)methanone
CID 116810109

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopropyl)-(2,6-dimethoxyphenyl)methanone?
The IUPAC name of (1-aminocyclopropyl)-(2,6-dimethoxyphenyl)methanone (CID 116811529) is (1-aminocyclopropyl)-(2,6-dimethoxyphenyl)methanone.
What is the SMILES notation for (1-aminocyclopropyl)-(2,6-dimethoxyphenyl)methanone?
The canonical SMILES for (1-aminocyclopropyl)-(2,6-dimethoxyphenyl)methanone is COc1cccc(OC)c1C(=O)C1(N)CC1.
What is the InChIKey of (1-aminocyclopropyl)-(2,6-dimethoxyphenyl)methanone?
The InChIKey is LKYZPIIKEKGCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-15-8-4-3-5-9(16-2)10(8)11(14)12(13)6-7-12/h3-5H,6-7,13H2,1-2H3.
What are the key properties of (1-aminocyclopropyl)-(2,6-dimethoxyphenyl)methanone?
(1-aminocyclopropyl)-(2,6-dimethoxyphenyl)methanone has a molecular weight of 221.26 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopropyl)-(2,6-dimethoxyphenyl)methanone is sourced from PubChem (CID 116811529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).