1-(4-methylphenyl)-2-(oxolan-2-ylmethoxy)propan-1-amine

C15H23NO2 — CID 43184114

IUPAC1-(4-methylphenyl)-2-(oxolan-2-ylmethoxy)propan-1-amine
SMILESCc1ccc(C(N)C(C)OCC2CCCO2)cc1
InChIInChI=1S/C15H23NO2/c1-11-5-7-13(8-6-11)15(16)12(2)18-10-14-4-3-9-17-14/h5-8,12,14-15H,3-4,9-10,16H2,1-2H3
InChIKeyXAIFOPQSATYDCW-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.58
Rot. Bonds5

About 1-(4-methylphenyl)-2-(oxolan-2-ylmethoxy)propan-1-amine

1-(4-methylphenyl)-2-(oxolan-2-ylmethoxy)propan-1-amine (PubChem CID 43184114) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-(oxolan-2-ylmethoxy)propan-1-amine.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-(oxolan-2-ylmethoxy)propan-1-amine
PubChem CID43184114
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-(4-methylphenyl)-2-(oxolan-2-ylmethoxy)propan-1-amine
SMILESCc1ccc(C(N)C(C)OCC2CCCO2)cc1
InChIInChI=1S/C15H23NO2/c1-11-5-7-13(8-6-11)15(16)12(2)18-10-14-4-3-9-17-14/h5-8,12,14-15H,3-4,9-10,16H2,1-2H3
InChIKeyXAIFOPQSATYDCW-UHFFFAOYSA-N
XLogP2.58
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methylphenyl)-2-(oxolan-2-ylmethoxy)ethyl]cyclopropanamine
CID 62106890
1-(4-methylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 65166872
1-(oxolan-2-ylmethoxy)-1-phenylpropan-2-amine
CID 55017321
1-(4-methylphenyl)-2-(oxolan-2-yl)ethanol
CID 60797370
2-(2-cyclopropylethoxy)-1-(4-methylphenyl)propan-1-amine
CID 114157364
N'-methyl-1-(4-methylphenyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 61431491
(2R)-2-[(4-methylphenyl)sulfanyloxymethyl]oxolane
CID 130321966
1-(2-methylphenyl)-1-(oxan-2-ylmethoxy)propan-2-amine
CID 55019249
2-(oxolan-2-ylmethoxy)-1-(2,4,6-trimethylphenyl)ethanamine
CID 43183834
(2S)-2-[[(1R)-1-(4-methylphenyl)ethoxy]methyl]oxirane
CID 97180239
2-(3-methylbutoxy)-1-(4-methylphenyl)propan-1-amine
CID 43183851
1-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]ethanamine
CID 16790426

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-(oxolan-2-ylmethoxy)propan-1-amine?
The IUPAC name of 1-(4-methylphenyl)-2-(oxolan-2-ylmethoxy)propan-1-amine (CID 43184114) is 1-(4-methylphenyl)-2-(oxolan-2-ylmethoxy)propan-1-amine.
What is the SMILES notation for 1-(4-methylphenyl)-2-(oxolan-2-ylmethoxy)propan-1-amine?
The canonical SMILES for 1-(4-methylphenyl)-2-(oxolan-2-ylmethoxy)propan-1-amine is Cc1ccc(C(N)C(C)OCC2CCCO2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-(oxolan-2-ylmethoxy)propan-1-amine?
The InChIKey is XAIFOPQSATYDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11-5-7-13(8-6-11)15(16)12(2)18-10-14-4-3-9-17-14/h5-8,12,14-15H,3-4,9-10,16H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)-2-(oxolan-2-ylmethoxy)propan-1-amine?
1-(4-methylphenyl)-2-(oxolan-2-ylmethoxy)propan-1-amine has a molecular weight of 249.35 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-(oxolan-2-ylmethoxy)propan-1-amine is sourced from PubChem (CID 43184114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).