1-(2-methylphenyl)-1-(oxolan-3-ylmethoxy)butan-2-amine

C16H25NO2 — CID 55018768

IUPAC1-(2-methylphenyl)-1-(oxolan-3-ylmethoxy)butan-2-amine
SMILESCCC(N)C(OCC1CCOC1)c1ccccc1C
InChIInChI=1S/C16H25NO2/c1-3-15(17)16(14-7-5-4-6-12(14)2)19-11-13-8-9-18-10-13/h4-7,13,15-16H,3,8-11,17H2,1-2H3
InChIKeyVMPOBCYPGIGRJA-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.83
Rot. Bonds6

About 1-(2-methylphenyl)-1-(oxolan-3-ylmethoxy)butan-2-amine

1-(2-methylphenyl)-1-(oxolan-3-ylmethoxy)butan-2-amine (PubChem CID 55018768) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(2-methylphenyl)-1-(oxolan-3-ylmethoxy)butan-2-amine.

Molecular Properties

Compound Name1-(2-methylphenyl)-1-(oxolan-3-ylmethoxy)butan-2-amine
PubChem CID55018768
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-(2-methylphenyl)-1-(oxolan-3-ylmethoxy)butan-2-amine
SMILESCCC(N)C(OCC1CCOC1)c1ccccc1C
InChIInChI=1S/C16H25NO2/c1-3-15(17)16(14-7-5-4-6-12(14)2)19-11-13-8-9-18-10-13/h4-7,13,15-16H,3,8-11,17H2,1-2H3
InChIKeyVMPOBCYPGIGRJA-UHFFFAOYSA-N
XLogP2.83
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(oxolan-3-ylmethoxy)-1-thiophen-2-ylbutan-2-amine
CID 55021106
1-(oxan-4-ylmethoxy)-1-pyridin-4-ylbutan-2-amine
CID 62382206
1-(2-methylphenyl)-1-(oxolan-3-yloxy)propan-2-amine
CID 63559231
1-(2-methylphenyl)-1-(oxan-2-ylmethoxy)propan-2-amine
CID 55019249
1-(2-bromophenyl)-1-(oxan-4-ylmethoxy)propan-2-amine
CID 62382399
N-ethyl-2-(2-methoxyphenyl)-2-(oxolan-3-ylmethoxy)ethanamine
CID 62111411
3-[[1-(2-bromophenyl)-2-iodoethoxy]methyl]oxolane
CID 114773806
(1S)-1-[2-(oxan-4-ylmethoxy)phenyl]propan-1-amine
CID 78932889
2-(2-fluorophenyl)-N-methyl-2-(oxolan-3-ylmethoxy)ethanamine
CID 62110742
1-[(3-bromophenyl)methoxy]-1-(2-methylphenyl)butan-2-amine
CID 82804119
1-(cyclopentylmethoxy)-1-(furan-2-yl)butan-2-amine
CID 66324500
N-[2-(2-chlorophenyl)-2-(oxolan-3-ylmethoxy)ethyl]-2-methylpropan-2-amine
CID 62110739

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-1-(oxolan-3-ylmethoxy)butan-2-amine?
The IUPAC name of 1-(2-methylphenyl)-1-(oxolan-3-ylmethoxy)butan-2-amine (CID 55018768) is 1-(2-methylphenyl)-1-(oxolan-3-ylmethoxy)butan-2-amine.
What is the SMILES notation for 1-(2-methylphenyl)-1-(oxolan-3-ylmethoxy)butan-2-amine?
The canonical SMILES for 1-(2-methylphenyl)-1-(oxolan-3-ylmethoxy)butan-2-amine is CCC(N)C(OCC1CCOC1)c1ccccc1C.
What is the InChIKey of 1-(2-methylphenyl)-1-(oxolan-3-ylmethoxy)butan-2-amine?
The InChIKey is VMPOBCYPGIGRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-15(17)16(14-7-5-4-6-12(14)2)19-11-13-8-9-18-10-13/h4-7,13,15-16H,3,8-11,17H2,1-2H3.
What are the key properties of 1-(2-methylphenyl)-1-(oxolan-3-ylmethoxy)butan-2-amine?
1-(2-methylphenyl)-1-(oxolan-3-ylmethoxy)butan-2-amine has a molecular weight of 263.38 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-1-(oxolan-3-ylmethoxy)butan-2-amine is sourced from PubChem (CID 55018768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).