N-(2-methoxy-2-methylpropyl)-3-(2-methylphenyl)cyclobutan-1-amine

C16H25NO — CID 113384097

IUPACN-(2-methoxy-2-methylpropyl)-3-(2-methylphenyl)cyclobutan-1-amine
SMILESCOC(C)(C)CNC1CC(c2ccccc2C)C1
InChIInChI=1S/C16H25NO/c1-12-7-5-6-8-15(12)13-9-14(10-13)17-11-16(2,3)18-4/h5-8,13-14,17H,9-11H2,1-4H3
InChIKeyCCNWQUPBZRVIBB-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.26
Rot. Bonds5

About N-(2-methoxy-2-methylpropyl)-3-(2-methylphenyl)cyclobutan-1-amine

N-(2-methoxy-2-methylpropyl)-3-(2-methylphenyl)cyclobutan-1-amine (PubChem CID 113384097) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-(2-methoxy-2-methylpropyl)-3-(2-methylphenyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-(2-methoxy-2-methylpropyl)-3-(2-methylphenyl)cyclobutan-1-amine
PubChem CID113384097
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-(2-methoxy-2-methylpropyl)-3-(2-methylphenyl)cyclobutan-1-amine
SMILESCOC(C)(C)CNC1CC(c2ccccc2C)C1
InChIInChI=1S/C16H25NO/c1-12-7-5-6-8-15(12)13-9-14(10-13)17-11-16(2,3)18-4/h5-8,13-14,17H,9-11H2,1-4H3
InChIKeyCCNWQUPBZRVIBB-UHFFFAOYSA-N
XLogP3.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-methylphenyl)-N-(2,2,3,3-tetrafluoropropyl)cyclobutan-1-amine
CID 103529593
N-(3-methoxypropyl)-3-(2-methylphenyl)cyclobutan-1-amine
CID 43634549
N-methyl-3-(2-methylphenyl)cyclobutan-1-amine
CID 43632423
3-(2-methylphenyl)-N-prop-2-enylcyclobutan-1-amine
CID 43632528
N-tert-butyl-2-[[3-(2-methylphenyl)cyclobutyl]amino]acetamide
CID 115355956
3-(2-methylphenyl)-N-(oxan-4-ylmethyl)cyclobutan-1-amine
CID 63726468
N-[3-(2-methoxyethoxy)propyl]-3-(2-methylphenyl)cyclobutan-1-amine
CID 43634729
N'-[3-(2-methylphenyl)cyclobutyl]butane-1,4-diamine
CID 60896174
4-[[3-(2-methylphenyl)cyclobutyl]amino]butan-1-ol
CID 106841126
N-(3-methylpentan-2-yl)-3-(2-methylphenyl)cyclobutan-1-amine
CID 54949555
N-[2-[[3-(2-methylphenyl)cyclobutyl]amino]ethyl]acetamide
CID 43634648
N-(4-methylpentyl)-3-(2-methylphenyl)cyclobutan-1-amine
CID 54914303

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-2-methylpropyl)-3-(2-methylphenyl)cyclobutan-1-amine?
The IUPAC name of N-(2-methoxy-2-methylpropyl)-3-(2-methylphenyl)cyclobutan-1-amine (CID 113384097) is N-(2-methoxy-2-methylpropyl)-3-(2-methylphenyl)cyclobutan-1-amine.
What is the SMILES notation for N-(2-methoxy-2-methylpropyl)-3-(2-methylphenyl)cyclobutan-1-amine?
The canonical SMILES for N-(2-methoxy-2-methylpropyl)-3-(2-methylphenyl)cyclobutan-1-amine is COC(C)(C)CNC1CC(c2ccccc2C)C1.
What is the InChIKey of N-(2-methoxy-2-methylpropyl)-3-(2-methylphenyl)cyclobutan-1-amine?
The InChIKey is CCNWQUPBZRVIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12-7-5-6-8-15(12)13-9-14(10-13)17-11-16(2,3)18-4/h5-8,13-14,17H,9-11H2,1-4H3.
What are the key properties of N-(2-methoxy-2-methylpropyl)-3-(2-methylphenyl)cyclobutan-1-amine?
N-(2-methoxy-2-methylpropyl)-3-(2-methylphenyl)cyclobutan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-2-methylpropyl)-3-(2-methylphenyl)cyclobutan-1-amine is sourced from PubChem (CID 113384097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).