1-[3-methoxy-4-(methoxymethyl)phenyl]propan-2-amine

C12H19NO2 — CID 117299172

IUPAC1-[3-methoxy-4-(methoxymethyl)phenyl]propan-2-amine
SMILESCOCc1ccc(CC(C)N)cc1OC
InChIInChI=1S/C12H19NO2/c1-9(13)6-10-4-5-11(8-14-2)12(7-10)15-3/h4-5,7,9H,6,8,13H2,1-3H3
InChIKeyZYRPBOPZYUIJKN-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.73
Rot. Bonds5

About 1-[3-methoxy-4-(methoxymethyl)phenyl]propan-2-amine

1-[3-methoxy-4-(methoxymethyl)phenyl]propan-2-amine (PubChem CID 117299172) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-[3-methoxy-4-(methoxymethyl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-methoxy-4-(methoxymethyl)phenyl]propan-2-amine
PubChem CID117299172
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name1-[3-methoxy-4-(methoxymethyl)phenyl]propan-2-amine
SMILESCOCc1ccc(CC(C)N)cc1OC
InChIInChI=1S/C12H19NO2/c1-9(13)6-10-4-5-11(8-14-2)12(7-10)15-3/h4-5,7,9H,6,8,13H2,1-3H3
InChIKeyZYRPBOPZYUIJKN-UHFFFAOYSA-N
XLogP1.73
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-methoxy-4-(methoxymethyl)phenyl]propan-2-ol
CID 117300594
2-methoxy-1,4-bis(2-methylpropyl)benzene
CID 91036364
1-[4-fluoro-2-(methoxymethyl)phenyl]propan-2-amine
CID 117287117
1-(3,4,5-trimethoxy(213C)cyclohexa-1,3,5-trien-1-yl)propan-2-amine
CID 71492617
1-[2-methoxy-4-(3-phenylpropyl)phenyl]propan-2-amine
CID 10802941
1-(3-methoxy-4-prop-2-enoxyphenyl)propan-2-amine
CID 60906895
1-[4-(3-chloropropoxy)-3-methoxyphenyl]propan-2-amine
CID 170864443
1-(3,5-dimethoxy-4-methylphenyl)propan-2-amine;hydrochloride
CID 168891432
1-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]propan-2-amine
CID 170864749
4-(4-ethyl-3-methoxyphenyl)butan-2-amine
CID 118279101
1-(4-methoxy-3-pentoxyphenyl)propan-2-amine
CID 54929182
1-[1-[3-methoxy-4-(methoxymethyl)phenyl]cyclopropyl]ethanamine
CID 117343261

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-4-(methoxymethyl)phenyl]propan-2-amine?
The IUPAC name of 1-[3-methoxy-4-(methoxymethyl)phenyl]propan-2-amine (CID 117299172) is 1-[3-methoxy-4-(methoxymethyl)phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-methoxy-4-(methoxymethyl)phenyl]propan-2-amine?
The canonical SMILES for 1-[3-methoxy-4-(methoxymethyl)phenyl]propan-2-amine is COCc1ccc(CC(C)N)cc1OC.
What is the InChIKey of 1-[3-methoxy-4-(methoxymethyl)phenyl]propan-2-amine?
The InChIKey is ZYRPBOPZYUIJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-9(13)6-10-4-5-11(8-14-2)12(7-10)15-3/h4-5,7,9H,6,8,13H2,1-3H3.
What are the key properties of 1-[3-methoxy-4-(methoxymethyl)phenyl]propan-2-amine?
1-[3-methoxy-4-(methoxymethyl)phenyl]propan-2-amine has a molecular weight of 209.29 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-4-(methoxymethyl)phenyl]propan-2-amine is sourced from PubChem (CID 117299172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).