N-[(5,5-dimethyloxolan-2-yl)methyl]-2-(2-methylphenyl)ethanamine

C16H25NO — CID 116521558

IUPACN-[(5,5-dimethyloxolan-2-yl)methyl]-2-(2-methylphenyl)ethanamine
SMILESCc1ccccc1CCNCC1CCC(C)(C)O1
InChIInChI=1S/C16H25NO/c1-13-6-4-5-7-14(13)9-11-17-12-15-8-10-16(2,3)18-15/h4-7,15,17H,8-12H2,1-3H3
InChIKeyNXEFHCGVZOWPAR-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.08
Rot. Bonds5

About N-[(5,5-dimethyloxolan-2-yl)methyl]-2-(2-methylphenyl)ethanamine

N-[(5,5-dimethyloxolan-2-yl)methyl]-2-(2-methylphenyl)ethanamine (PubChem CID 116521558) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[(5,5-dimethyloxolan-2-yl)methyl]-2-(2-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-[(5,5-dimethyloxolan-2-yl)methyl]-2-(2-methylphenyl)ethanamine
PubChem CID116521558
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[(5,5-dimethyloxolan-2-yl)methyl]-2-(2-methylphenyl)ethanamine
SMILESCc1ccccc1CCNCC1CCC(C)(C)O1
InChIInChI=1S/C16H25NO/c1-13-6-4-5-7-14(13)9-11-17-12-15-8-10-16(2,3)18-15/h4-7,15,17H,8-12H2,1-3H3
InChIKeyNXEFHCGVZOWPAR-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
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

N-[(5,5-dimethyloxolan-2-yl)methyl]-2-phenylethanamine
CID 116521126
1-(5,5-dimethyloxolan-2-yl)-N-(naphthalen-1-ylmethyl)methanamine
CID 116521405
N'-[(5,5-dimethyloxolan-2-yl)methyl]ethane-1,2-diamine
CID 116521389
N-[(5,5-dimethyloxolan-2-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106400999
1-(5,5-dimethyloxolan-2-yl)-N-[(2-nitrophenyl)methyl]methanamine
CID 116521381
N-[(2-methylphenyl)methyl]-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine
CID 102896894
4-[[2-(2-methylphenyl)ethylamino]methyl]cyclohexan-1-one
CID 115240249
1-(5,5-dimethyloxolan-2-yl)-N-[(3-fluorophenyl)methyl]methanamine
CID 116521177
N-[(4-methylmorpholin-2-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 79749259
N-[2-(2-methylphenyl)ethyl]-2-(oxolan-2-yl)ethanamine
CID 79763588
N-[(5-ethylfuran-2-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 79762599
N-[(5,5-dimethyloxolan-2-yl)methyl]-2-methyl-4-phenylbutan-2-amine
CID 116521687

Frequently Asked Questions

What is the IUPAC name of N-[(5,5-dimethyloxolan-2-yl)methyl]-2-(2-methylphenyl)ethanamine?
The IUPAC name of N-[(5,5-dimethyloxolan-2-yl)methyl]-2-(2-methylphenyl)ethanamine (CID 116521558) is N-[(5,5-dimethyloxolan-2-yl)methyl]-2-(2-methylphenyl)ethanamine.
What is the SMILES notation for N-[(5,5-dimethyloxolan-2-yl)methyl]-2-(2-methylphenyl)ethanamine?
The canonical SMILES for N-[(5,5-dimethyloxolan-2-yl)methyl]-2-(2-methylphenyl)ethanamine is Cc1ccccc1CCNCC1CCC(C)(C)O1.
What is the InChIKey of N-[(5,5-dimethyloxolan-2-yl)methyl]-2-(2-methylphenyl)ethanamine?
The InChIKey is NXEFHCGVZOWPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-13-6-4-5-7-14(13)9-11-17-12-15-8-10-16(2,3)18-15/h4-7,15,17H,8-12H2,1-3H3.
What are the key properties of N-[(5,5-dimethyloxolan-2-yl)methyl]-2-(2-methylphenyl)ethanamine?
N-[(5,5-dimethyloxolan-2-yl)methyl]-2-(2-methylphenyl)ethanamine has a molecular weight of 247.38 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,5-dimethyloxolan-2-yl)methyl]-2-(2-methylphenyl)ethanamine is sourced from PubChem (CID 116521558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).