N-[[2-(3,4-dimethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine

C17H27NO2 — CID 81022910

IUPACN-[[2-(3,4-dimethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
SMILESCOc1ccc(C2CCC2CNC(C)(C)C)cc1OC
InChIInChI=1S/C17H27NO2/c1-17(2,3)18-11-13-6-8-14(13)12-7-9-15(19-4)16(10-12)20-5/h7,9-10,13-14,18H,6,8,11H2,1-5H3
InChIKeyXFBUOOZWBBTIOK-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.59
Rot. Bonds5

About N-[[2-(3,4-dimethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine

N-[[2-(3,4-dimethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine (PubChem CID 81022910) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[[2-(3,4-dimethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(3,4-dimethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
PubChem CID81022910
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[[2-(3,4-dimethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
SMILESCOc1ccc(C2CCC2CNC(C)(C)C)cc1OC
InChIInChI=1S/C17H27NO2/c1-17(2,3)18-11-13-6-8-14(13)12-7-9-15(19-4)16(10-12)20-5/h7,9-10,13-14,18H,6,8,11H2,1-5H3
InChIKeyXFBUOOZWBBTIOK-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-(3,4-dimethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 81023599
N-[[2-(2,5-dimethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 81023713
N-[[2-(4-tert-butylphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 81022912
N-[[2-(4-methoxyphenyl)cyclopentyl]methyl]-2-methylpropan-2-amine
CID 81027158
N-[[2-(3,4-dimethoxyphenyl)cyclohexyl]methyl]ethanamine
CID 81026742
N-[[2-(4-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 81021961
N-[[2-[4-fluoro-3-(trifluoromethyl)phenyl]cyclobutyl]methyl]-2-methylpropan-2-amine
CID 107290751
1-[2-(3-fluoro-4-methoxyphenyl)cyclobutyl]-N-methylmethanamine
CID 81018324
N-[[2-(4-chloro-3-methoxyphenyl)cyclobutyl]methyl]ethanamine
CID 81017506
N-[[2-[(2-methoxy-5-methylphenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine
CID 81021831
N-[[2-(4-chlorophenyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 81024853
4-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclopropyl]-1,2-dimethoxybenzene
CID 71406141

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,4-dimethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(3,4-dimethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine (CID 81022910) is N-[[2-(3,4-dimethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(3,4-dimethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(3,4-dimethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine is COc1ccc(C2CCC2CNC(C)(C)C)cc1OC.
What is the InChIKey of N-[[2-(3,4-dimethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine?
The InChIKey is XFBUOOZWBBTIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-17(2,3)18-11-13-6-8-14(13)12-7-9-15(19-4)16(10-12)20-5/h7,9-10,13-14,18H,6,8,11H2,1-5H3.
What are the key properties of N-[[2-(3,4-dimethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine?
N-[[2-(3,4-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-(3,4-dimethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 81022910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).