(1-aminocyclopropyl)-(5-tert-butyl-2-methoxyphenyl)methanone

C15H21NO2 — CID 116924278

IUPAC(1-aminocyclopropyl)-(5-tert-butyl-2-methoxyphenyl)methanone
SMILESCOc1ccc(C(C)(C)C)cc1C(=O)C1(N)CC1
InChIInChI=1S/C15H21NO2/c1-14(2,3)10-5-6-12(18-4)11(9-10)13(17)15(16)7-8-15/h5-6,9H,7-8,16H2,1-4H3
InChIKeyNVEXHBRBVPNXIW-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.67
Rot. Bonds3

About (1-aminocyclopropyl)-(5-tert-butyl-2-methoxyphenyl)methanone

(1-aminocyclopropyl)-(5-tert-butyl-2-methoxyphenyl)methanone (PubChem CID 116924278) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (1-aminocyclopropyl)-(5-tert-butyl-2-methoxyphenyl)methanone.

Molecular Properties

Compound Name(1-aminocyclopropyl)-(5-tert-butyl-2-methoxyphenyl)methanone
PubChem CID116924278
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(1-aminocyclopropyl)-(5-tert-butyl-2-methoxyphenyl)methanone
SMILESCOc1ccc(C(C)(C)C)cc1C(=O)C1(N)CC1
InChIInChI=1S/C15H21NO2/c1-14(2,3)10-5-6-12(18-4)11(9-10)13(17)15(16)7-8-15/h5-6,9H,7-8,16H2,1-4H3
InChIKeyNVEXHBRBVPNXIW-UHFFFAOYSA-N
XLogP2.67
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-aminocyclopropyl)-(5-bromo-2-methoxyphenyl)methanone
CID 116924286
1-(5-tert-butyl-2-methoxybenzoyl)cyclopropane-1-carbonitrile
CID 116920810
(1-aminocyclohexyl)-(5-chloro-2-methoxyphenyl)methanone
CID 116550581
(1-aminocyclopropyl)-(2,3-dichloro-4-methoxyphenyl)methanone
CID 116924357
(1-aminocyclopropyl)-(4,5-dimethoxy-2-methylphenyl)methanone
CID 116924321
1-[4-(5-tert-butyl-2-methoxybenzoyl)piperazin-1-yl]ethanone
CID 110761321
(5-tert-butyl-2-methoxyphenyl)-pyrrolidin-1-ylmethanone
CID 50882718
4-tert-butyl-2-[(Z)-2-(5-tert-butyl-2-hydroxyphenyl)-1,2-bis(5-tert-butyl-2-methoxyphenyl)ethenyl]phenol
CID 12990064
5-tert-butyl-N-cyclopropyl-2-methoxybenzamide
CID 110761313
(1-aminocyclopropyl)-(2,6-dimethoxyphenyl)methanone
CID 116811529
5-tert-butyl-2-methoxy-N'-methylbenzenecarboximidamide
CID 116827761
5-tert-butyl-2-methoxy-N',N'-dimethylbenzohydrazide
CID 116847946

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopropyl)-(5-tert-butyl-2-methoxyphenyl)methanone?
The IUPAC name of (1-aminocyclopropyl)-(5-tert-butyl-2-methoxyphenyl)methanone (CID 116924278) is (1-aminocyclopropyl)-(5-tert-butyl-2-methoxyphenyl)methanone.
What is the SMILES notation for (1-aminocyclopropyl)-(5-tert-butyl-2-methoxyphenyl)methanone?
The canonical SMILES for (1-aminocyclopropyl)-(5-tert-butyl-2-methoxyphenyl)methanone is COc1ccc(C(C)(C)C)cc1C(=O)C1(N)CC1.
What is the InChIKey of (1-aminocyclopropyl)-(5-tert-butyl-2-methoxyphenyl)methanone?
The InChIKey is NVEXHBRBVPNXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-14(2,3)10-5-6-12(18-4)11(9-10)13(17)15(16)7-8-15/h5-6,9H,7-8,16H2,1-4H3.
What are the key properties of (1-aminocyclopropyl)-(5-tert-butyl-2-methoxyphenyl)methanone?
(1-aminocyclopropyl)-(5-tert-butyl-2-methoxyphenyl)methanone has a molecular weight of 247.34 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopropyl)-(5-tert-butyl-2-methoxyphenyl)methanone is sourced from PubChem (CID 116924278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).