N-(2-methoxypropyl)-3-(4-methylphenyl)cyclobutan-1-amine

C15H23NO — CID 102696984

IUPACN-(2-methoxypropyl)-3-(4-methylphenyl)cyclobutan-1-amine
SMILESCOC(C)CNC1CC(c2ccc(C)cc2)C1
InChIInChI=1S/C15H23NO/c1-11-4-6-13(7-5-11)14-8-15(9-14)16-10-12(2)17-3/h4-7,12,14-16H,8-10H2,1-3H3
InChIKeyWDFKMUVIESEIJM-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.87
Rot. Bonds5

About N-(2-methoxypropyl)-3-(4-methylphenyl)cyclobutan-1-amine

N-(2-methoxypropyl)-3-(4-methylphenyl)cyclobutan-1-amine (PubChem CID 102696984) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is N-(2-methoxypropyl)-3-(4-methylphenyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-(2-methoxypropyl)-3-(4-methylphenyl)cyclobutan-1-amine
PubChem CID102696984
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC NameN-(2-methoxypropyl)-3-(4-methylphenyl)cyclobutan-1-amine
SMILESCOC(C)CNC1CC(c2ccc(C)cc2)C1
InChIInChI=1S/C15H23NO/c1-11-4-6-13(7-5-11)14-8-15(9-14)16-10-12(2)17-3/h4-7,12,14-16H,8-10H2,1-3H3
InChIKeyWDFKMUVIESEIJM-UHFFFAOYSA-N
XLogP2.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[3-(4-tert-Butylphenyl)-2-methylpropyl]amino]ethanol
CID 139596372
1-[[3-(4-tert-Butylphenyl)-2-methylpropyl]amino]propan-2-ol
CID 139598047
2-Propanol, 1-(alpha,alpha-dimethyl-beta-phenethylamino)-
CID 89515
(2,4-Dimethylbenzyl)(2-methoxy-1-methylethyl)amine
CID 2850780
N-(4-isopropylbenzyl)-2-methoxyethanamine hydrochloride
CID 6463016
(2S,3S)-2-benzyl-3-methoxyazetidine
CID 118903224
(2R,3R)-2-benzyl-3-methoxyazetidine
CID 118903297
(2S,3R)-2-benzyl-3-methoxyazetidine
CID 118903458
US10233152, Example 124
CID 129279746
(2-Methoxyethyl)(3-phenylpropyl)amine
CID 10176503
(2-Methoxyethyl)(2-phenylethyl)amine
CID 17158403
[(4-Ethylphenyl)methyl](2-methoxyethyl)amine hydrochloride
CID 17295529

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxypropyl)-3-(4-methylphenyl)cyclobutan-1-amine?
The IUPAC name of N-(2-methoxypropyl)-3-(4-methylphenyl)cyclobutan-1-amine (CID 102696984) is N-(2-methoxypropyl)-3-(4-methylphenyl)cyclobutan-1-amine.
What is the SMILES notation for N-(2-methoxypropyl)-3-(4-methylphenyl)cyclobutan-1-amine?
The canonical SMILES for N-(2-methoxypropyl)-3-(4-methylphenyl)cyclobutan-1-amine is COC(C)CNC1CC(c2ccc(C)cc2)C1.
What is the InChIKey of N-(2-methoxypropyl)-3-(4-methylphenyl)cyclobutan-1-amine?
The InChIKey is WDFKMUVIESEIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11-4-6-13(7-5-11)14-8-15(9-14)16-10-12(2)17-3/h4-7,12,14-16H,8-10H2,1-3H3.
What are the key properties of N-(2-methoxypropyl)-3-(4-methylphenyl)cyclobutan-1-amine?
N-(2-methoxypropyl)-3-(4-methylphenyl)cyclobutan-1-amine has a molecular weight of 233.36 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxypropyl)-3-(4-methylphenyl)cyclobutan-1-amine is sourced from PubChem (CID 102696984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).