2-(4-methylphenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine

C16H25NO — CID 65155888

IUPAC2-(4-methylphenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
SMILESCc1ccc(CC(N)C2C(C)OC(C)C2C)cc1
InChIInChI=1S/C16H25NO/c1-10-5-7-14(8-6-10)9-15(17)16-11(2)12(3)18-13(16)4/h5-8,11-13,15-16H,9,17H2,1-4H3
InChIKeyLADPBHPCKWPJSZ-UHFFFAOYSA-N
MW247.38 g/mol
LogP2.92
Rot. Bonds3

About 2-(4-methylphenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine

2-(4-methylphenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine (PubChem CID 65155888) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(4-methylphenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
PubChem CID65155888
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-(4-methylphenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
SMILESCc1ccc(CC(N)C2C(C)OC(C)C2C)cc1
InChIInChI=1S/C16H25NO/c1-10-5-7-14(8-6-10)9-15(17)16-11(2)12(3)18-13(16)4/h5-8,11-13,15-16H,9,17H2,1-4H3
InChIKeyLADPBHPCKWPJSZ-UHFFFAOYSA-N
XLogP2.92
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
CID 65155737
2-(furan-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
CID 105030155
3-(4-methoxyphenyl)-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine
CID 115864775
2-pyridin-2-yl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
CID 65155794
1-cyclopropyl-2-(4-methylphenyl)ethanamine
CID 60818816
3-[bromo-(4-methylphenyl)methyl]-2,4,5-trimethyloxolane
CID 65158260
(2S)-2-amino-3-(4-methylphenyl)propan-1-ol
CID 28804561
2-methoxy-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
CID 105008984
2-(4-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65423604
2-(2-propyl-1,2,4-triazol-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
CID 105003253
3-methyl-4-(4-methylphenyl)butan-2-amine
CID 60996372
1,1-diethoxy-3-(4-methylphenyl)propan-2-amine
CID 79495466

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine?
The IUPAC name of 2-(4-methylphenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine (CID 65155888) is 2-(4-methylphenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(4-methylphenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine?
The canonical SMILES for 2-(4-methylphenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine is Cc1ccc(CC(N)C2C(C)OC(C)C2C)cc1.
What is the InChIKey of 2-(4-methylphenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine?
The InChIKey is LADPBHPCKWPJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-10-5-7-14(8-6-10)9-15(17)16-11(2)12(3)18-13(16)4/h5-8,11-13,15-16H,9,17H2,1-4H3.
What are the key properties of 2-(4-methylphenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine?
2-(4-methylphenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine has a molecular weight of 247.38 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine is sourced from PubChem (CID 65155888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).