2-methyl-1-[4-(oxolan-3-yl)phenyl]propan-2-amine

C14H21NO — CID 117313363

IUPAC2-methyl-1-[4-(oxolan-3-yl)phenyl]propan-2-amine
SMILESCC(C)(N)Cc1ccc(C2CCOC2)cc1
InChIInChI=1S/C14H21NO/c1-14(2,15)9-11-3-5-12(6-4-11)13-7-8-16-10-13/h3-6,13H,7-10,15H2,1-2H3
InChIKeyCRLJFTMLSDXFLC-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.47
Rot. Bonds3

About 2-methyl-1-[4-(oxolan-3-yl)phenyl]propan-2-amine

2-methyl-1-[4-(oxolan-3-yl)phenyl]propan-2-amine (PubChem CID 117313363) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-methyl-1-[4-(oxolan-3-yl)phenyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-1-[4-(oxolan-3-yl)phenyl]propan-2-amine
PubChem CID117313363
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-methyl-1-[4-(oxolan-3-yl)phenyl]propan-2-amine
SMILESCC(C)(N)Cc1ccc(C2CCOC2)cc1
InChIInChI=1S/C14H21NO/c1-14(2,15)9-11-3-5-12(6-4-11)13-7-8-16-10-13/h3-6,13H,7-10,15H2,1-2H3
InChIKeyCRLJFTMLSDXFLC-UHFFFAOYSA-N
XLogP2.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(oxolan-3-yl)phenyl]propan-2-amine?
The IUPAC name of 2-methyl-1-[4-(oxolan-3-yl)phenyl]propan-2-amine (CID 117313363) is 2-methyl-1-[4-(oxolan-3-yl)phenyl]propan-2-amine.
What is the SMILES notation for 2-methyl-1-[4-(oxolan-3-yl)phenyl]propan-2-amine?
The canonical SMILES for 2-methyl-1-[4-(oxolan-3-yl)phenyl]propan-2-amine is CC(C)(N)Cc1ccc(C2CCOC2)cc1.
What is the InChIKey of 2-methyl-1-[4-(oxolan-3-yl)phenyl]propan-2-amine?
The InChIKey is CRLJFTMLSDXFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-14(2,15)9-11-3-5-12(6-4-11)13-7-8-16-10-13/h3-6,13H,7-10,15H2,1-2H3.
What are the key properties of 2-methyl-1-[4-(oxolan-3-yl)phenyl]propan-2-amine?
2-methyl-1-[4-(oxolan-3-yl)phenyl]propan-2-amine has a molecular weight of 219.33 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(oxolan-3-yl)phenyl]propan-2-amine is sourced from PubChem (CID 117313363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).