N-(2,3-dimethoxypropyl)-3-(3-methylphenyl)cyclobutan-1-amine

C16H25NO2 — CID 104530609

IUPACN-(2,3-dimethoxypropyl)-3-(3-methylphenyl)cyclobutan-1-amine
SMILESCOCC(CNC1CC(c2cccc(C)c2)C1)OC
InChIInChI=1S/C16H25NO2/c1-12-5-4-6-13(7-12)14-8-15(9-14)17-10-16(19-3)11-18-2/h4-7,14-17H,8-11H2,1-3H3
InChIKeyYLGCGESQRWTJOY-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.49
Rot. Bonds7

About N-(2,3-dimethoxypropyl)-3-(3-methylphenyl)cyclobutan-1-amine

N-(2,3-dimethoxypropyl)-3-(3-methylphenyl)cyclobutan-1-amine (PubChem CID 104530609) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-(2,3-dimethoxypropyl)-3-(3-methylphenyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-(2,3-dimethoxypropyl)-3-(3-methylphenyl)cyclobutan-1-amine
PubChem CID104530609
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-(2,3-dimethoxypropyl)-3-(3-methylphenyl)cyclobutan-1-amine
SMILESCOCC(CNC1CC(c2cccc(C)c2)C1)OC
InChIInChI=1S/C16H25NO2/c1-12-5-4-6-13(7-12)14-8-15(9-14)17-10-16(19-3)11-18-2/h4-7,14-17H,8-11H2,1-3H3
InChIKeyYLGCGESQRWTJOY-UHFFFAOYSA-N
XLogP2.49
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methylphenyl)-N-(2-methylpropyl)cyclobutan-1-amine
CID 43632690
N-(2,2-diethoxyethyl)-3-(3-methylphenyl)cyclobutan-1-amine
CID 79548122
N-(5-methoxypentyl)-3-(3-methylphenyl)cyclobutan-1-amine
CID 104530006
4-methoxy-3-[[3-(3-methylphenyl)cyclobutyl]amino]butan-1-ol
CID 104530239
3-(3-methylphenyl)-N-[(3-methylphenyl)methyl]cyclobutan-1-amine
CID 43634409
N-ethyl-3-(3-methylphenyl)cyclobutan-1-amine
CID 43632481
[4-[[[3-(3-methylphenyl)cyclobutyl]amino]methyl]phenyl]methanol
CID 107229953
N-[(2-methoxyphenyl)methyl]-3-(3-methylphenyl)cyclobutan-1-amine
CID 43632936
3-(3-methylphenyl)-N-(3-propan-2-yloxypropyl)cyclobutan-1-amine
CID 43634799
3-(3-methylphenyl)-N-(4-propan-2-yloxybutyl)cyclobutan-1-amine
CID 104530614
N-[(1-ethylcyclopropyl)methyl]-3-(3-methylphenyl)cyclobutan-1-amine
CID 104530348
2-[[3-(3-methylphenyl)cyclobutyl]amino]propan-1-ol
CID 43635472

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethoxypropyl)-3-(3-methylphenyl)cyclobutan-1-amine?
The IUPAC name of N-(2,3-dimethoxypropyl)-3-(3-methylphenyl)cyclobutan-1-amine (CID 104530609) is N-(2,3-dimethoxypropyl)-3-(3-methylphenyl)cyclobutan-1-amine.
What is the SMILES notation for N-(2,3-dimethoxypropyl)-3-(3-methylphenyl)cyclobutan-1-amine?
The canonical SMILES for N-(2,3-dimethoxypropyl)-3-(3-methylphenyl)cyclobutan-1-amine is COCC(CNC1CC(c2cccc(C)c2)C1)OC.
What is the InChIKey of N-(2,3-dimethoxypropyl)-3-(3-methylphenyl)cyclobutan-1-amine?
The InChIKey is YLGCGESQRWTJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12-5-4-6-13(7-12)14-8-15(9-14)17-10-16(19-3)11-18-2/h4-7,14-17H,8-11H2,1-3H3.
What are the key properties of N-(2,3-dimethoxypropyl)-3-(3-methylphenyl)cyclobutan-1-amine?
N-(2,3-dimethoxypropyl)-3-(3-methylphenyl)cyclobutan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethoxypropyl)-3-(3-methylphenyl)cyclobutan-1-amine is sourced from PubChem (CID 104530609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).