2-[4-[(dimethylamino)methyl]-3-methoxyphenyl]ethanol

C12H19NO2 — CID 172604005

IUPAC2-[4-[(dimethylamino)methyl]-3-methoxyphenyl]ethanol
SMILESCOc1cc(CCO)ccc1CN(C)C
InChIInChI=1S/C12H19NO2/c1-13(2)9-11-5-4-10(6-7-14)8-12(11)15-3/h4-5,8,14H,6-7,9H2,1-3H3
InChIKeyVIIVVNRWSZWRCI-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.29
Rot. Bonds5

About 2-[4-[(dimethylamino)methyl]-3-methoxyphenyl]ethanol

2-[4-[(dimethylamino)methyl]-3-methoxyphenyl]ethanol (PubChem CID 172604005) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-[4-[(dimethylamino)methyl]-3-methoxyphenyl]ethanol.

Molecular Properties

Compound Name2-[4-[(dimethylamino)methyl]-3-methoxyphenyl]ethanol
PubChem CID172604005
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-[4-[(dimethylamino)methyl]-3-methoxyphenyl]ethanol
SMILESCOc1cc(CCO)ccc1CN(C)C
InChIInChI=1S/C12H19NO2/c1-13(2)9-11-5-4-10(6-7-14)8-12(11)15-3/h4-5,8,14H,6-7,9H2,1-3H3
InChIKeyVIIVVNRWSZWRCI-UHFFFAOYSA-N
XLogP1.29
TPSA32.70 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 ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-2-methoxyphenyl)-N,N-dimethylmethanamine
CID 117219351
2-(3-cyclopropyloxy-4-methoxyphenyl)ethanol
CID 117297599
2-(6,7-dimethoxynaphthalen-2-yl)ethanol
CID 12849270
2-(3-cyclobutyloxy-4-methoxyphenyl)ethanol
CID 117318425
2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]ethanol
CID 117318422
[3-[(dimethylamino)methyl]-4-methoxyphenyl]methanamine;hydrochloride
CID 156589399
2-[4-(2-hydroxyethyl)-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 74124623
ethyl N'-[4-[(dimethylamino)methyl]-3-methoxyphenyl]carbamimidothioate
CID 174381102
4-[(dimethylamino)methyl]-2,6-dimethoxyphenol
CID 10066574
2-[[4-[[2-(dimethylamino)ethylamino]methyl]-3-methoxyphenyl]methyl-ethylamino]ethanol
CID 84746090
2-(4-bromo-2-methoxyphenyl)ethanol
CID 66580015
2-(4-methoxy-3-phenylphenyl)ethanol
CID 117328990

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(dimethylamino)methyl]-3-methoxyphenyl]ethanol?
The IUPAC name of 2-[4-[(dimethylamino)methyl]-3-methoxyphenyl]ethanol (CID 172604005) is 2-[4-[(dimethylamino)methyl]-3-methoxyphenyl]ethanol.
What is the SMILES notation for 2-[4-[(dimethylamino)methyl]-3-methoxyphenyl]ethanol?
The canonical SMILES for 2-[4-[(dimethylamino)methyl]-3-methoxyphenyl]ethanol is COc1cc(CCO)ccc1CN(C)C.
What is the InChIKey of 2-[4-[(dimethylamino)methyl]-3-methoxyphenyl]ethanol?
The InChIKey is VIIVVNRWSZWRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-13(2)9-11-5-4-10(6-7-14)8-12(11)15-3/h4-5,8,14H,6-7,9H2,1-3H3.
What are the key properties of 2-[4-[(dimethylamino)methyl]-3-methoxyphenyl]ethanol?
2-[4-[(dimethylamino)methyl]-3-methoxyphenyl]ethanol has a molecular weight of 209.29 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(dimethylamino)methyl]-3-methoxyphenyl]ethanol is sourced from PubChem (CID 172604005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).