N,3-dimethyl-3-[2-(3-methylphenyl)ethoxymethyl]cyclobutan-1-amine

C16H25NO — CID 142585858

IUPACN,3-dimethyl-3-[2-(3-methylphenyl)ethoxymethyl]cyclobutan-1-amine
SMILESCNC1CC(C)(COCCc2cccc(C)c2)C1
InChIInChI=1S/C16H25NO/c1-13-5-4-6-14(9-13)7-8-18-12-16(2)10-15(11-16)17-3/h4-6,9,15,17H,7-8,10-12H2,1-3H3
InChIKeyPSBZFDWVMXRMDB-UHFFFAOYSA-N
MW247.38 g/mol
LogP2.94
Rot. Bonds6

About N,3-dimethyl-3-[2-(3-methylphenyl)ethoxymethyl]cyclobutan-1-amine

N,3-dimethyl-3-[2-(3-methylphenyl)ethoxymethyl]cyclobutan-1-amine (PubChem CID 142585858) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N,3-dimethyl-3-[2-(3-methylphenyl)ethoxymethyl]cyclobutan-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-3-[2-(3-methylphenyl)ethoxymethyl]cyclobutan-1-amine
PubChem CID142585858
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN,3-dimethyl-3-[2-(3-methylphenyl)ethoxymethyl]cyclobutan-1-amine
SMILESCNC1CC(C)(COCCc2cccc(C)c2)C1
InChIInChI=1S/C16H25NO/c1-13-5-4-6-14(9-13)7-8-18-12-16(2)10-15(11-16)17-3/h4-6,9,15,17H,7-8,10-12H2,1-3H3
InChIKeyPSBZFDWVMXRMDB-UHFFFAOYSA-N
XLogP2.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,3-dimethyl-N-[2-(3-methylphenyl)ethyl]cyclopentan-1-amine
CID 80705858
N-(4,4-difluorocyclohexyl)-3-(3-methylphenyl)propanamide
CID 121021894
1-methyl-N-[(3-methylphenyl)methyl]cyclopropan-1-amine
CID 115635136
2-[2-(3-methylphenyl)ethoxy]-N-oxoacetamide
CID 163656364
2-methyl-1-[2-(3-methylphenyl)ethyl]cyclopropan-1-ol
CID 79332898
N-methyl-1-[3-[2-(3-methylphenyl)ethyl]phenyl]methanamine
CID 145495304
3-methyl-N-[2-(3-methylphenyl)ethyl]cyclobutan-1-amine
CID 104859744
1-methyl-3-[(3-methylphenyl)methoxymethyl]benzene
CID 15640186
1-methyl-3-[8-(3-methylphenyl)octyl]benzene
CID 22920080
1-[2-(3-methylphenyl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 108900751
N-[(3-methylphenyl)methyl]cyclopropanamine
CID 16776498
N-methyl-1-[(3-methylphenyl)methoxy]methanamine
CID 142182109

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-3-[2-(3-methylphenyl)ethoxymethyl]cyclobutan-1-amine?
The IUPAC name of N,3-dimethyl-3-[2-(3-methylphenyl)ethoxymethyl]cyclobutan-1-amine (CID 142585858) is N,3-dimethyl-3-[2-(3-methylphenyl)ethoxymethyl]cyclobutan-1-amine.
What is the SMILES notation for N,3-dimethyl-3-[2-(3-methylphenyl)ethoxymethyl]cyclobutan-1-amine?
The canonical SMILES for N,3-dimethyl-3-[2-(3-methylphenyl)ethoxymethyl]cyclobutan-1-amine is CNC1CC(C)(COCCc2cccc(C)c2)C1.
What is the InChIKey of N,3-dimethyl-3-[2-(3-methylphenyl)ethoxymethyl]cyclobutan-1-amine?
The InChIKey is PSBZFDWVMXRMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-13-5-4-6-14(9-13)7-8-18-12-16(2)10-15(11-16)17-3/h4-6,9,15,17H,7-8,10-12H2,1-3H3.
What are the key properties of N,3-dimethyl-3-[2-(3-methylphenyl)ethoxymethyl]cyclobutan-1-amine?
N,3-dimethyl-3-[2-(3-methylphenyl)ethoxymethyl]cyclobutan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-3-[2-(3-methylphenyl)ethoxymethyl]cyclobutan-1-amine is sourced from PubChem (CID 142585858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).