1-(2-methylphenyl)-1-(oxan-2-ylmethoxy)propan-2-amine

C16H25NO2 — CID 55019249

IUPAC1-(2-methylphenyl)-1-(oxan-2-ylmethoxy)propan-2-amine
SMILESCc1ccccc1C(OCC1CCCCO1)C(C)N
InChIInChI=1S/C16H25NO2/c1-12-7-3-4-9-15(12)16(13(2)17)19-11-14-8-5-6-10-18-14/h3-4,7,9,13-14,16H,5-6,8,10-11,17H2,1-2H3
InChIKeyWEUDQNNHAMZORA-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.97
Rot. Bonds5

About 1-(2-methylphenyl)-1-(oxan-2-ylmethoxy)propan-2-amine

1-(2-methylphenyl)-1-(oxan-2-ylmethoxy)propan-2-amine (PubChem CID 55019249) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(2-methylphenyl)-1-(oxan-2-ylmethoxy)propan-2-amine.

Molecular Properties

Compound Name1-(2-methylphenyl)-1-(oxan-2-ylmethoxy)propan-2-amine
PubChem CID55019249
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-(2-methylphenyl)-1-(oxan-2-ylmethoxy)propan-2-amine
SMILESCc1ccccc1C(OCC1CCCCO1)C(C)N
InChIInChI=1S/C16H25NO2/c1-12-7-3-4-9-15(12)16(13(2)17)19-11-14-8-5-6-10-18-14/h3-4,7,9,13-14,16H,5-6,8,10-11,17H2,1-2H3
InChIKeyWEUDQNNHAMZORA-UHFFFAOYSA-N
XLogP2.97
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(oxolan-2-ylmethoxy)-1-phenylpropan-2-amine
CID 55017321
1-(oxan-2-ylmethoxy)-1-thiophen-2-ylpropan-2-amine
CID 55020930
[1-(2-methylphenyl)-2-(oxan-2-yl)ethyl]hydrazine
CID 105267276
1-(2-methylphenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 54940082
(1R)-1-[1-(oxan-2-ylmethoxy)naphthalen-2-yl]ethanamine
CID 63368500
ethane;[(2S)-oxan-2-yl]methoxy-phenylmethanol
CID 143051501
1-(2-methylphenyl)-1-(oxolan-3-ylmethoxy)butan-2-amine
CID 55018768
1-(cyclohexylmethoxy)-1-(2-fluorophenyl)propan-2-amine
CID 62383305
1-(2-methylphenyl)-1-(oxolan-3-yloxy)propan-2-amine
CID 63559231
3-[1-(oxan-2-ylmethoxy)ethyl]aniline
CID 61262580
1-[[(2R)-oxan-2-yl]methoxy]ethanol
CID 68624351
1-(4-methylphenyl)-2-(oxolan-2-ylmethoxy)propan-1-amine
CID 43184114

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-1-(oxan-2-ylmethoxy)propan-2-amine?
The IUPAC name of 1-(2-methylphenyl)-1-(oxan-2-ylmethoxy)propan-2-amine (CID 55019249) is 1-(2-methylphenyl)-1-(oxan-2-ylmethoxy)propan-2-amine.
What is the SMILES notation for 1-(2-methylphenyl)-1-(oxan-2-ylmethoxy)propan-2-amine?
The canonical SMILES for 1-(2-methylphenyl)-1-(oxan-2-ylmethoxy)propan-2-amine is Cc1ccccc1C(OCC1CCCCO1)C(C)N.
What is the InChIKey of 1-(2-methylphenyl)-1-(oxan-2-ylmethoxy)propan-2-amine?
The InChIKey is WEUDQNNHAMZORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12-7-3-4-9-15(12)16(13(2)17)19-11-14-8-5-6-10-18-14/h3-4,7,9,13-14,16H,5-6,8,10-11,17H2,1-2H3.
What are the key properties of 1-(2-methylphenyl)-1-(oxan-2-ylmethoxy)propan-2-amine?
1-(2-methylphenyl)-1-(oxan-2-ylmethoxy)propan-2-amine has a molecular weight of 263.38 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-1-(oxan-2-ylmethoxy)propan-2-amine is sourced from PubChem (CID 55019249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).