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

C15H23NO — CID 116521126

IUPACN-[(5,5-dimethyloxolan-2-yl)methyl]-2-phenylethanamine
SMILESCC1(C)CCC(CNCCc2ccccc2)O1
InChIInChI=1S/C15H23NO/c1-15(2)10-8-14(17-15)12-16-11-9-13-6-4-3-5-7-13/h3-7,14,16H,8-12H2,1-2H3
InChIKeyCCIIMWDOZKJGKZ-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.78
Rot. Bonds5

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

N-[(5,5-dimethyloxolan-2-yl)methyl]-2-phenylethanamine (PubChem CID 116521126) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-[(5,5-dimethyloxolan-2-yl)methyl]-2-phenylethanamine.

Molecular Properties

Compound NameN-[(5,5-dimethyloxolan-2-yl)methyl]-2-phenylethanamine
PubChem CID116521126
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-[(5,5-dimethyloxolan-2-yl)methyl]-2-phenylethanamine
SMILESCC1(C)CCC(CNCCc2ccccc2)O1
InChIInChI=1S/C15H23NO/c1-15(2)10-8-14(17-15)12-16-11-9-13-6-4-3-5-7-13/h3-7,14,16H,8-12H2,1-2H3
InChIKeyCCIIMWDOZKJGKZ-UHFFFAOYSA-N
XLogP2.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.78
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-(2-methylphenyl)ethanamine
CID 116521558
N-[(5,5-dimethyloxolan-2-yl)methyl]-2-methyl-4-phenylbutan-2-amine
CID 116521687
1-(5,5-dimethyloxolan-2-yl)-N-phenylmethoxymethanamine
CID 116521506
1-(5,5-dimethyloxolan-2-yl)-N-[(3-fluorophenyl)methyl]methanamine
CID 116521177
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
2-[(5,5-dimethyloxolan-2-yl)methylamino]-3-phenylpropan-1-ol
CID 116521447
1-(5,5-dimethyloxolan-2-yl)-N-(naphthalen-1-ylmethyl)methanamine
CID 116521405
N-[(4-ethylcyclohexyl)methyl]-2-phenylethanamine
CID 55192739
1-(5,5-dimethyloxolan-2-yl)-N-[(2-nitrophenyl)methyl]methanamine
CID 116521381
1-(5,5-dimethyloxolan-2-yl)-N-[(4-methylsulfonylphenyl)methyl]methanamine
CID 116521375
N-[(5,5-dimethyloxolan-2-yl)methyl]-2-(triazol-1-yl)ethanamine
CID 116521666

Frequently Asked Questions

What is the IUPAC name of N-[(5,5-dimethyloxolan-2-yl)methyl]-2-phenylethanamine?
The IUPAC name of N-[(5,5-dimethyloxolan-2-yl)methyl]-2-phenylethanamine (CID 116521126) is N-[(5,5-dimethyloxolan-2-yl)methyl]-2-phenylethanamine.
What is the SMILES notation for N-[(5,5-dimethyloxolan-2-yl)methyl]-2-phenylethanamine?
The canonical SMILES for N-[(5,5-dimethyloxolan-2-yl)methyl]-2-phenylethanamine is CC1(C)CCC(CNCCc2ccccc2)O1.
What is the InChIKey of N-[(5,5-dimethyloxolan-2-yl)methyl]-2-phenylethanamine?
The InChIKey is CCIIMWDOZKJGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-15(2)10-8-14(17-15)12-16-11-9-13-6-4-3-5-7-13/h3-7,14,16H,8-12H2,1-2H3.
What are the key properties of N-[(5,5-dimethyloxolan-2-yl)methyl]-2-phenylethanamine?
N-[(5,5-dimethyloxolan-2-yl)methyl]-2-phenylethanamine has a molecular weight of 233.35 g/mol, XLogP of 2.78, 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-phenylethanamine is sourced from PubChem (CID 116521126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).