2-[1-(aminomethyl)cyclobutyl]-1-(2,4-dimethoxyphenyl)ethanone

C15H21NO3 — CID 116599360

IUPAC2-[1-(aminomethyl)cyclobutyl]-1-(2,4-dimethoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CC2(CN)CCC2)c(OC)c1
InChIInChI=1S/C15H21NO3/c1-18-11-4-5-12(14(8-11)19-2)13(17)9-15(10-16)6-3-7-15/h4-5,8H,3,6-7,9-10,16H2,1-2H3
InChIKeyBBDDGVZDDXQKGM-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.41
Rot. Bonds6

About 2-[1-(aminomethyl)cyclobutyl]-1-(2,4-dimethoxyphenyl)ethanone

2-[1-(aminomethyl)cyclobutyl]-1-(2,4-dimethoxyphenyl)ethanone (PubChem CID 116599360) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-1-(2,4-dimethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-1-(2,4-dimethoxyphenyl)ethanone
PubChem CID116599360
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-1-(2,4-dimethoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CC2(CN)CCC2)c(OC)c1
InChIInChI=1S/C15H21NO3/c1-18-11-4-5-12(14(8-11)19-2)13(17)9-15(10-16)6-3-7-15/h4-5,8H,3,6-7,9-10,16H2,1-2H3
InChIKeyBBDDGVZDDXQKGM-UHFFFAOYSA-N
XLogP2.41
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-aminocyclopentyl)-1-(2,4-dimethoxyphenyl)ethanone
CID 116578600
3-amino-1-(2,4-dimethoxyphenyl)propan-1-one
CID 93183350
4-(2,4-dimethoxyphenyl)-4-oxobutanamide
CID 56984225
(2,4-dimethoxyphenyl)-(1-methoxycycloheptyl)methanone
CID 116750527
3-amino-1-(2-ethoxy-4-methoxyphenyl)propan-1-one
CID 117319761
(2,4-dimethoxyphenyl)-[1-(dimethylamino)cyclopentyl]methanone
CID 79067768
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 120806079
2-[1-(aminomethyl)cyclobutyl]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 81172310
2-[1-(aminomethyl)cyclobutyl]-1-(3,4-diethoxyphenyl)ethanone
CID 116599582
2-[1-(aminomethyl)cyclobutyl]-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone
CID 102756919
1-[1-(aminomethyl)cyclohexyl]-3-(3-methoxyphenyl)propan-2-one
CID 116614341
2,4-dimethoxybenzoic acid
CID 67450326

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-1-(2,4-dimethoxyphenyl)ethanone?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-1-(2,4-dimethoxyphenyl)ethanone (CID 116599360) is 2-[1-(aminomethyl)cyclobutyl]-1-(2,4-dimethoxyphenyl)ethanone.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-1-(2,4-dimethoxyphenyl)ethanone?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-1-(2,4-dimethoxyphenyl)ethanone is COc1ccc(C(=O)CC2(CN)CCC2)c(OC)c1.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-1-(2,4-dimethoxyphenyl)ethanone?
The InChIKey is BBDDGVZDDXQKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-18-11-4-5-12(14(8-11)19-2)13(17)9-15(10-16)6-3-7-15/h4-5,8H,3,6-7,9-10,16H2,1-2H3.
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-1-(2,4-dimethoxyphenyl)ethanone?
2-[1-(aminomethyl)cyclobutyl]-1-(2,4-dimethoxyphenyl)ethanone has a molecular weight of 263.34 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclobutyl]-1-(2,4-dimethoxyphenyl)ethanone is sourced from PubChem (CID 116599360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).