N-[[2-(2-methoxy-4,6-dimethylphenyl)cyclobutyl]methyl]propan-2-amine

C17H27NO — CID 106681604

IUPACN-[[2-(2-methoxy-4,6-dimethylphenyl)cyclobutyl]methyl]propan-2-amine
SMILESCOc1cc(C)cc(C)c1C1CCC1CNC(C)C
InChIInChI=1S/C17H27NO/c1-11(2)18-10-14-6-7-15(14)17-13(4)8-12(3)9-16(17)19-5/h8-9,11,14-15,18H,6-7,10H2,1-5H3
InChIKeyVSFNETYCEJPXLY-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.80
Rot. Bonds5

About N-[[2-(2-methoxy-4,6-dimethylphenyl)cyclobutyl]methyl]propan-2-amine

N-[[2-(2-methoxy-4,6-dimethylphenyl)cyclobutyl]methyl]propan-2-amine (PubChem CID 106681604) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[[2-(2-methoxy-4,6-dimethylphenyl)cyclobutyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(2-methoxy-4,6-dimethylphenyl)cyclobutyl]methyl]propan-2-amine
PubChem CID106681604
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[[2-(2-methoxy-4,6-dimethylphenyl)cyclobutyl]methyl]propan-2-amine
SMILESCOc1cc(C)cc(C)c1C1CCC1CNC(C)C
InChIInChI=1S/C17H27NO/c1-11(2)18-10-14-6-7-15(14)17-13(4)8-12(3)9-16(17)19-5/h8-9,11,14-15,18H,6-7,10H2,1-5H3
InChIKeyVSFNETYCEJPXLY-UHFFFAOYSA-N
XLogP3.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(2-methoxy-4,6-dimethylphenyl)cyclobutyl]methyl]cyclopropanamine
CID 106681605
1-[4-ethyl-2-(2-methoxy-4,6-dimethylphenyl)cyclohexyl]-N-methylmethanamine
CID 106681630
N-[[2-[(2,4,6-trimethylphenyl)methyl]cyclobutyl]methyl]propan-2-amine
CID 81017122
N-[[2-(2,5-dimethylphenyl)cyclobutyl]methyl]propan-2-amine
CID 81017220
N-[[2-(2,4-dimethylphenyl)cyclopentyl]methyl]propan-2-amine
CID 81034661
3-(2-methoxy-4,6-dimethylphenyl)-2-methylcyclopentan-1-one
CID 106681264
N-[[2-(2-fluoro-5-methylphenyl)cyclobutyl]methyl]propan-2-amine
CID 81018045
N-[[2-(5-fluoro-2-methylphenyl)cyclobutyl]methyl]propan-2-amine
CID 81017316
N-[[2-(3,5-difluorophenyl)cyclobutyl]methyl]propan-2-amine
CID 81018163
N-[(2,6-dimethoxy-4-methylphenyl)methyl]propan-2-amine
CID 145435829
N-[cycloheptyl-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine
CID 106680669
N-[[2-[2-methyl-4-(trifluoromethyl)phenyl]cyclobutyl]methyl]propan-2-amine
CID 102756432

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methoxy-4,6-dimethylphenyl)cyclobutyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(2-methoxy-4,6-dimethylphenyl)cyclobutyl]methyl]propan-2-amine (CID 106681604) is N-[[2-(2-methoxy-4,6-dimethylphenyl)cyclobutyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(2-methoxy-4,6-dimethylphenyl)cyclobutyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(2-methoxy-4,6-dimethylphenyl)cyclobutyl]methyl]propan-2-amine is COc1cc(C)cc(C)c1C1CCC1CNC(C)C.
What is the InChIKey of N-[[2-(2-methoxy-4,6-dimethylphenyl)cyclobutyl]methyl]propan-2-amine?
The InChIKey is VSFNETYCEJPXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-11(2)18-10-14-6-7-15(14)17-13(4)8-12(3)9-16(17)19-5/h8-9,11,14-15,18H,6-7,10H2,1-5H3.
What are the key properties of N-[[2-(2-methoxy-4,6-dimethylphenyl)cyclobutyl]methyl]propan-2-amine?
N-[[2-(2-methoxy-4,6-dimethylphenyl)cyclobutyl]methyl]propan-2-amine has a molecular weight of 261.41 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methoxy-4,6-dimethylphenyl)cyclobutyl]methyl]propan-2-amine is sourced from PubChem (CID 106681604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).