[2-(4-methoxy-3,5-dimethylphenyl)ethylamino]methanol

C12H19NO2 — CID 115229389

IUPAC[2-(4-methoxy-3,5-dimethylphenyl)ethylamino]methanol
SMILESCOc1c(C)cc(CCNCO)cc1C
InChIInChI=1S/C12H19NO2/c1-9-6-11(4-5-13-8-14)7-10(2)12(9)15-3/h6-7,13-14H,4-5,8H2,1-3H3
InChIKeyLIDVHEHWSFJWML-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.39
Rot. Bonds5

About [2-(4-methoxy-3,5-dimethylphenyl)ethylamino]methanol

[2-(4-methoxy-3,5-dimethylphenyl)ethylamino]methanol (PubChem CID 115229389) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is [2-(4-methoxy-3,5-dimethylphenyl)ethylamino]methanol.

Molecular Properties

Compound Name[2-(4-methoxy-3,5-dimethylphenyl)ethylamino]methanol
PubChem CID115229389
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name[2-(4-methoxy-3,5-dimethylphenyl)ethylamino]methanol
SMILESCOc1c(C)cc(CCNCO)cc1C
InChIInChI=1S/C12H19NO2/c1-9-6-11(4-5-13-8-14)7-10(2)12(9)15-3/h6-7,13-14H,4-5,8H2,1-3H3
InChIKeyLIDVHEHWSFJWML-UHFFFAOYSA-N
XLogP1.39
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(4-methoxy-3,5-dimethylphenyl)ethylamino]butan-1-ol
CID 115217828
3-[2-(4-methoxy-3,5-dimethylphenyl)ethylamino]propane-1,2-diol
CID 115122359
4-[2-(4-methoxy-3,5-dimethylphenyl)ethylamino]butan-2-one
CID 115235985
2-[2-(4-methoxy-3,5-dimethylphenyl)ethylamino]-2-methylpropan-1-ol
CID 115133609
3-[[2-(4-methoxy-3,5-dimethylphenyl)ethylamino]methyl]cyclobutan-1-amine
CID 115214323
2-(4-methoxy-3,5-dimethylphenyl)ethylurea
CID 115168574
1-[[2-(4-methoxy-3,5-dimethylphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile
CID 115242542
N'-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-2-methylpropane-1,3-diamine
CID 115198805
1-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-3-methylurea
CID 115169411
N-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-2-methylbutane-1,4-diamine
CID 115202794
2-[2-(2-methoxy-3,5-dimethylphenyl)ethylamino]acetic acid
CID 112518242
5-(4-methoxy-3,5-dimethylphenyl)-N-propylpentan-1-amine
CID 83067861

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxy-3,5-dimethylphenyl)ethylamino]methanol?
The IUPAC name of [2-(4-methoxy-3,5-dimethylphenyl)ethylamino]methanol (CID 115229389) is [2-(4-methoxy-3,5-dimethylphenyl)ethylamino]methanol.
What is the SMILES notation for [2-(4-methoxy-3,5-dimethylphenyl)ethylamino]methanol?
The canonical SMILES for [2-(4-methoxy-3,5-dimethylphenyl)ethylamino]methanol is COc1c(C)cc(CCNCO)cc1C.
What is the InChIKey of [2-(4-methoxy-3,5-dimethylphenyl)ethylamino]methanol?
The InChIKey is LIDVHEHWSFJWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-9-6-11(4-5-13-8-14)7-10(2)12(9)15-3/h6-7,13-14H,4-5,8H2,1-3H3.
What are the key properties of [2-(4-methoxy-3,5-dimethylphenyl)ethylamino]methanol?
[2-(4-methoxy-3,5-dimethylphenyl)ethylamino]methanol has a molecular weight of 209.29 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxy-3,5-dimethylphenyl)ethylamino]methanol is sourced from PubChem (CID 115229389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).