2-methyl-N-[2-[4-(oxolan-3-yloxymethyl)phenyl]ethyl]propan-2-amine

C17H27NO2 — CID 105350921

IUPAC2-methyl-N-[2-[4-(oxolan-3-yloxymethyl)phenyl]ethyl]propan-2-amine
SMILESCC(C)(C)NCCc1ccc(COC2CCOC2)cc1
InChIInChI=1S/C17H27NO2/c1-17(2,3)18-10-8-14-4-6-15(7-5-14)12-20-16-9-11-19-13-16/h4-7,16,18H,8-13H2,1-3H3
InChIKeyUORRGHVOMUUBPX-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.92
Rot. Bonds6

About 2-methyl-N-[2-[4-(oxolan-3-yloxymethyl)phenyl]ethyl]propan-2-amine

2-methyl-N-[2-[4-(oxolan-3-yloxymethyl)phenyl]ethyl]propan-2-amine (PubChem CID 105350921) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-methyl-N-[2-[4-(oxolan-3-yloxymethyl)phenyl]ethyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-[4-(oxolan-3-yloxymethyl)phenyl]ethyl]propan-2-amine
PubChem CID105350921
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-methyl-N-[2-[4-(oxolan-3-yloxymethyl)phenyl]ethyl]propan-2-amine
SMILESCC(C)(C)NCCc1ccc(COC2CCOC2)cc1
InChIInChI=1S/C17H27NO2/c1-17(2,3)18-10-8-14-4-6-15(7-5-14)12-20-16-9-11-19-13-16/h4-7,16,18H,8-13H2,1-3H3
InChIKeyUORRGHVOMUUBPX-UHFFFAOYSA-N
XLogP2.92
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-methoxy-3-(oxolan-3-yloxymethyl)phenyl]methyl]-2-methylpropan-2-amine
CID 63556444
2-methyl-N-[[6-(oxolan-3-yloxymethyl)-2-pyridinyl]methyl]propan-2-amine
CID 106908333
N-ethyl-2-[4-(oxolan-3-yloxymethyl)phenyl]propan-1-amine
CID 105350924
2-methyl-N-[2-[4-(2-methylpropoxymethyl)phenyl]ethyl]propan-2-amine
CID 105349335
3-[4-(oxolan-3-yloxymethyl)phenyl]prop-2-yn-1-amine
CID 55212355
CID 168763654
CID 168763654
1-(tert-butylamino)-3-(oxolan-3-yloxy)propan-2-ol
CID 115476122
4-phenylmethoxyoxane
CID 66554133
N-[2-[2-(cyclopentyloxymethyl)phenyl]ethyl]-2-methylpropan-2-amine
CID 115464481
N-[2-[4-[2-(dimethylamino)ethoxymethyl]phenyl]ethyl]-2-methylpropan-2-amine
CID 105350642
N-[[4-fluoro-3-(oxetan-3-yloxymethyl)phenyl]methyl]-2-methylpropan-2-amine
CID 107457989
N-[2-[4-(oxolan-3-ylmethoxymethyl)phenyl]ethyl]propan-1-amine
CID 105350841

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[4-(oxolan-3-yloxymethyl)phenyl]ethyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[2-[4-(oxolan-3-yloxymethyl)phenyl]ethyl]propan-2-amine (CID 105350921) is 2-methyl-N-[2-[4-(oxolan-3-yloxymethyl)phenyl]ethyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-[4-(oxolan-3-yloxymethyl)phenyl]ethyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[2-[4-(oxolan-3-yloxymethyl)phenyl]ethyl]propan-2-amine is CC(C)(C)NCCc1ccc(COC2CCOC2)cc1.
What is the InChIKey of 2-methyl-N-[2-[4-(oxolan-3-yloxymethyl)phenyl]ethyl]propan-2-amine?
The InChIKey is UORRGHVOMUUBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-17(2,3)18-10-8-14-4-6-15(7-5-14)12-20-16-9-11-19-13-16/h4-7,16,18H,8-13H2,1-3H3.
What are the key properties of 2-methyl-N-[2-[4-(oxolan-3-yloxymethyl)phenyl]ethyl]propan-2-amine?
2-methyl-N-[2-[4-(oxolan-3-yloxymethyl)phenyl]ethyl]propan-2-amine has a molecular weight of 277.41 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[4-(oxolan-3-yloxymethyl)phenyl]ethyl]propan-2-amine is sourced from PubChem (CID 105350921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).