2-[3-(methoxymethyl)phenoxy]-N-propan-2-ylpropan-1-amine

C14H23NO2 — CID 63986199

IUPAC2-[3-(methoxymethyl)phenoxy]-N-propan-2-ylpropan-1-amine
SMILESCOCc1cccc(OC(C)CNC(C)C)c1
InChIInChI=1S/C14H23NO2/c1-11(2)15-9-12(3)17-14-7-5-6-13(8-14)10-16-4/h5-8,11-12,15H,9-10H2,1-4H3
InChIKeyLOEDSBZNMSWLMM-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.60
Rot. Bonds7

About 2-[3-(methoxymethyl)phenoxy]-N-propan-2-ylpropan-1-amine

2-[3-(methoxymethyl)phenoxy]-N-propan-2-ylpropan-1-amine (PubChem CID 63986199) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-[3-(methoxymethyl)phenoxy]-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-[3-(methoxymethyl)phenoxy]-N-propan-2-ylpropan-1-amine
PubChem CID63986199
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-[3-(methoxymethyl)phenoxy]-N-propan-2-ylpropan-1-amine
SMILESCOCc1cccc(OC(C)CNC(C)C)c1
InChIInChI=1S/C14H23NO2/c1-11(2)15-9-12(3)17-14-7-5-6-13(8-14)10-16-4/h5-8,11-12,15H,9-10H2,1-4H3
InChIKeyLOEDSBZNMSWLMM-UHFFFAOYSA-N
XLogP2.60
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(methoxymethyl)phenoxy]pentan-2-ol
CID 64720842
2-(3-ethoxyphenoxy)-N-propan-2-ylpropan-1-amine
CID 62440452
4-[3-(methoxymethyl)phenoxy]pentanoic acid
CID 63986541
3-[3-(methoxymethyl)phenoxy]butan-2-amine
CID 63985757
2-[3-(methoxymethyl)phenoxy]pentan-3-amine
CID 63984771
N-propan-2-yl-2-[3-(trifluoromethyl)phenoxy]propan-1-amine
CID 62456493
4-[3-(methoxymethyl)phenoxy]-2-methyl-2-(propan-2-ylamino)pentanenitrile
CID 64728224
3-(3-ethylphenoxy)-N-propan-2-ylbutan-1-amine
CID 114999658
3,3,3-trifluoro-2-[3-(methoxymethyl)phenoxy]propan-1-amine
CID 63985750
2-[3-(methoxymethyl)phenoxy]-N-methyl-1-phenylpropan-1-amine
CID 63984967
N-[[2-[3-(methoxymethyl)phenoxy]-4-pyridinyl]methyl]propan-2-amine
CID 63985993
2-[3-(methoxymethyl)phenoxy]-1-phenylpropan-1-amine
CID 63986561

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methoxymethyl)phenoxy]-N-propan-2-ylpropan-1-amine?
The IUPAC name of 2-[3-(methoxymethyl)phenoxy]-N-propan-2-ylpropan-1-amine (CID 63986199) is 2-[3-(methoxymethyl)phenoxy]-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 2-[3-(methoxymethyl)phenoxy]-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 2-[3-(methoxymethyl)phenoxy]-N-propan-2-ylpropan-1-amine is COCc1cccc(OC(C)CNC(C)C)c1.
What is the InChIKey of 2-[3-(methoxymethyl)phenoxy]-N-propan-2-ylpropan-1-amine?
The InChIKey is LOEDSBZNMSWLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-11(2)15-9-12(3)17-14-7-5-6-13(8-14)10-16-4/h5-8,11-12,15H,9-10H2,1-4H3.
What are the key properties of 2-[3-(methoxymethyl)phenoxy]-N-propan-2-ylpropan-1-amine?
2-[3-(methoxymethyl)phenoxy]-N-propan-2-ylpropan-1-amine has a molecular weight of 237.34 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methoxymethyl)phenoxy]-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 63986199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).