N-[[2-(2,5-dimethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine

C17H27NO2 — CID 81023713

IUPACN-[[2-(2,5-dimethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
SMILESCOc1ccc(OC)c(C2CCC2CNC(C)(C)C)c1
InChIInChI=1S/C17H27NO2/c1-17(2,3)18-11-12-6-8-14(12)15-10-13(19-4)7-9-16(15)20-5/h7,9-10,12,14,18H,6,8,11H2,1-5H3
InChIKeyIGGZURABZONCER-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.59
Rot. Bonds5

About N-[[2-(2,5-dimethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine

N-[[2-(2,5-dimethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine (PubChem CID 81023713) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[[2-(2,5-dimethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(2,5-dimethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
PubChem CID81023713
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[[2-(2,5-dimethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
SMILESCOc1ccc(OC)c(C2CCC2CNC(C)(C)C)c1
InChIInChI=1S/C17H27NO2/c1-17(2,3)18-11-12-6-8-14(12)15-10-13(19-4)7-9-16(15)20-5/h7,9-10,12,14,18H,6,8,11H2,1-5H3
InChIKeyIGGZURABZONCER-UHFFFAOYSA-N
XLogP3.59
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(2,5-dimethoxyphenyl)cyclopentyl]methyl]cyclopropanamine
CID 81033094
N-[[2-(2,5-dimethoxyphenyl)cyclohexyl]methyl]ethanamine
CID 81027759
N-[[2-(2,5-dimethoxyphenyl)cyclopentyl]methyl]propan-1-amine
CID 81033055
2-methyl-N-[[2-(2,4,5-trimethylphenyl)cyclobutyl]methyl]propan-2-amine
CID 81023321
1-[(1R,2S)-2-(2,5-dimethoxyphenyl)cyclopropyl]-N-methylmethanamine
CID 94558417
N-[[2-(4-methoxyphenyl)cyclopentyl]methyl]-2-methylpropan-2-amine
CID 81027158
1-[2-(5-chloro-2-methoxyphenyl)cyclobutyl]-N-methylmethanamine
CID 81016874
N-[[2-[(2-methoxy-5-methylphenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine
CID 81021831
3-(2,5-dimethoxyphenyl)-N-ethyl-2-methylcyclopentan-1-amine
CID 64907254
2-methyl-N-[[2-(2-propan-2-yloxyphenyl)cyclobutyl]methyl]propan-2-amine
CID 81017765
N-[[2-(2-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 81022399
2-[2-(2,5-dimethoxyphenyl)cyclopentyl]acetic acid
CID 66652406

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,5-dimethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(2,5-dimethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine (CID 81023713) is N-[[2-(2,5-dimethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(2,5-dimethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(2,5-dimethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine is COc1ccc(OC)c(C2CCC2CNC(C)(C)C)c1.
What is the InChIKey of N-[[2-(2,5-dimethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine?
The InChIKey is IGGZURABZONCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-17(2,3)18-11-12-6-8-14(12)15-10-13(19-4)7-9-16(15)20-5/h7,9-10,12,14,18H,6,8,11H2,1-5H3.
What are the key properties of N-[[2-(2,5-dimethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine?
N-[[2-(2,5-dimethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine has a molecular weight of 277.41 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,5-dimethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 81023713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).