[2-(2,5-dimethoxy-4-methylphenyl)ethylamino]methanol

C12H19NO3 — CID 115229328

IUPAC[2-(2,5-dimethoxy-4-methylphenyl)ethylamino]methanol
SMILESCOc1cc(CCNCO)c(OC)cc1C
InChIInChI=1S/C12H19NO3/c1-9-6-12(16-3)10(4-5-13-8-14)7-11(9)15-2/h6-7,13-14H,4-5,8H2,1-3H3
InChIKeyMJYYJCVNZMAUAM-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.09
Rot. Bonds6

About [2-(2,5-dimethoxy-4-methylphenyl)ethylamino]methanol

[2-(2,5-dimethoxy-4-methylphenyl)ethylamino]methanol (PubChem CID 115229328) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is [2-(2,5-dimethoxy-4-methylphenyl)ethylamino]methanol.

Molecular Properties

Compound Name[2-(2,5-dimethoxy-4-methylphenyl)ethylamino]methanol
PubChem CID115229328
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name[2-(2,5-dimethoxy-4-methylphenyl)ethylamino]methanol
SMILESCOc1cc(CCNCO)c(OC)cc1C
InChIInChI=1S/C12H19NO3/c1-9-6-12(16-3)10(4-5-13-8-14)7-11(9)15-2/h6-7,13-14H,4-5,8H2,1-3H3
InChIKeyMJYYJCVNZMAUAM-UHFFFAOYSA-N
XLogP1.09
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-(2,5-dimethoxy-4-methylphenyl)-N-ethylethanamine
CID 98783839
N'-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-N-ethylethane-1,2-diamine
CID 115206014
2-[2-(2,5-dimethoxy-4-methylphenyl)ethylamino]ethanethiol
CID 115224241
N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-2-hydroxyacetamide
CID 115140079
N-(azetidin-3-ylmethyl)-2-(2,5-dimethoxy-4-methylphenyl)ethanamine
CID 115207803
1-[3-(2,5-dimethoxy-4-methylphenyl)propyl]-2,5-dimethoxy-4-methylbenzene
CID 4096780
3-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]propane-1,2-diol
CID 115122296
2-amino-3-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]propan-1-ol
CID 115120814
2-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]acetaldehyde
CID 115223198
3-[2-(5-chloro-2-methoxy-4-methylphenyl)ethylamino]propan-1-ol
CID 115217036
3-amino-N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]propanamide
CID 115153004
N'-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-N-methylmethanediamine
CID 115227195

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethoxy-4-methylphenyl)ethylamino]methanol?
The IUPAC name of [2-(2,5-dimethoxy-4-methylphenyl)ethylamino]methanol (CID 115229328) is [2-(2,5-dimethoxy-4-methylphenyl)ethylamino]methanol.
What is the SMILES notation for [2-(2,5-dimethoxy-4-methylphenyl)ethylamino]methanol?
The canonical SMILES for [2-(2,5-dimethoxy-4-methylphenyl)ethylamino]methanol is COc1cc(CCNCO)c(OC)cc1C.
What is the InChIKey of [2-(2,5-dimethoxy-4-methylphenyl)ethylamino]methanol?
The InChIKey is MJYYJCVNZMAUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-9-6-12(16-3)10(4-5-13-8-14)7-11(9)15-2/h6-7,13-14H,4-5,8H2,1-3H3.
What are the key properties of [2-(2,5-dimethoxy-4-methylphenyl)ethylamino]methanol?
[2-(2,5-dimethoxy-4-methylphenyl)ethylamino]methanol has a molecular weight of 225.29 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethoxy-4-methylphenyl)ethylamino]methanol is sourced from PubChem (CID 115229328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).