2-[3-(dimethoxymethyl)phenyl]propan-2-amine

C12H19NO2 — CID 84780824

IUPAC2-[3-(dimethoxymethyl)phenyl]propan-2-amine
SMILESCOC(OC)c1cccc(C(C)(C)N)c1
InChIInChI=1S/C12H19NO2/c1-12(2,13)10-7-5-6-9(8-10)11(14-3)15-4/h5-8,11H,13H2,1-4H3
InChIKeyHXIIKSIWGJFYOC-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.17
Rot. Bonds4

About 2-[3-(dimethoxymethyl)phenyl]propan-2-amine

2-[3-(dimethoxymethyl)phenyl]propan-2-amine (PubChem CID 84780824) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-[3-(dimethoxymethyl)phenyl]propan-2-amine.

Molecular Properties

Compound Name2-[3-(dimethoxymethyl)phenyl]propan-2-amine
PubChem CID84780824
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-[3-(dimethoxymethyl)phenyl]propan-2-amine
SMILESCOC(OC)c1cccc(C(C)(C)N)c1
InChIInChI=1S/C12H19NO2/c1-12(2,13)10-7-5-6-9(8-10)11(14-3)15-4/h5-8,11H,13H2,1-4H3
InChIKeyHXIIKSIWGJFYOC-UHFFFAOYSA-N
XLogP2.17
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-tert-butyl-3-(diethoxymethyl)benzene
CID 146004634
formaldehyde;2-(3-methoxyphenyl)propan-2-amine
CID 143998972
O-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 10899748
1-[3-(dimethoxymethyl)phenyl]cyclopropan-1-amine
CID 84779678
1-(2-bromo-1-methoxyethyl)-3-(trifluoromethyl)benzene
CID 10589008
1-[3-(2-aminopropan-2-yl)phenyl]propan-2-amine
CID 69374582
(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585
2-methoxy-3-methyl-1-[3-(trifluoromethyl)phenyl]butan-1-ol
CID 116712081
[methoxy(methyl)amino]-[3-(trifluoromethyl)phenyl]methanol
CID 162547672
(2S)-2-methoxy-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 44562793
[3-methoxy-3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]hydrazine
CID 103025278
(1S)-1-(3-tert-butylphenyl)-2,2,2-trifluoroethanamine
CID 66510224

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethoxymethyl)phenyl]propan-2-amine?
The IUPAC name of 2-[3-(dimethoxymethyl)phenyl]propan-2-amine (CID 84780824) is 2-[3-(dimethoxymethyl)phenyl]propan-2-amine.
What is the SMILES notation for 2-[3-(dimethoxymethyl)phenyl]propan-2-amine?
The canonical SMILES for 2-[3-(dimethoxymethyl)phenyl]propan-2-amine is COC(OC)c1cccc(C(C)(C)N)c1.
What is the InChIKey of 2-[3-(dimethoxymethyl)phenyl]propan-2-amine?
The InChIKey is HXIIKSIWGJFYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-12(2,13)10-7-5-6-9(8-10)11(14-3)15-4/h5-8,11H,13H2,1-4H3.
What are the key properties of 2-[3-(dimethoxymethyl)phenyl]propan-2-amine?
2-[3-(dimethoxymethyl)phenyl]propan-2-amine has a molecular weight of 209.29 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethoxymethyl)phenyl]propan-2-amine is sourced from PubChem (CID 84780824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).