2-[[4-methoxy-3-(2-methylpropoxy)phenyl]methylamino]ethanol

C14H23NO3 — CID 110878918

IUPAC2-[[4-methoxy-3-(2-methylpropoxy)phenyl]methylamino]ethanol
SMILESCOc1ccc(CNCCO)cc1OCC(C)C
InChIInChI=1S/C14H23NO3/c1-11(2)10-18-14-8-12(9-15-6-7-16)4-5-13(14)17-3/h4-5,8,11,15-16H,6-7,9-10H2,1-3H3
InChIKeyHLWHYHCRGKGINK-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.81
Rot. Bonds8

About 2-[[4-methoxy-3-(2-methylpropoxy)phenyl]methylamino]ethanol

2-[[4-methoxy-3-(2-methylpropoxy)phenyl]methylamino]ethanol (PubChem CID 110878918) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-[[4-methoxy-3-(2-methylpropoxy)phenyl]methylamino]ethanol.

Molecular Properties

Compound Name2-[[4-methoxy-3-(2-methylpropoxy)phenyl]methylamino]ethanol
PubChem CID110878918
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name2-[[4-methoxy-3-(2-methylpropoxy)phenyl]methylamino]ethanol
SMILESCOc1ccc(CNCCO)cc1OCC(C)C
InChIInChI=1S/C14H23NO3/c1-11(2)10-18-14-8-12(9-15-6-7-16)4-5-13(14)17-3/h4-5,8,11,15-16H,6-7,9-10H2,1-3H3
InChIKeyHLWHYHCRGKGINK-UHFFFAOYSA-N
XLogP1.81
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]ethanamine
CID 39366584
2-[[4-methoxy-3-(2-phenoxyethoxy)phenyl]methylamino]ethanol
CID 92928810
N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]octan-1-amine
CID 54807740
2-[(3-methoxy-4-propoxyphenyl)methylamino]ethanol
CID 29225754
N-[(3-ethoxy-4-methoxyphenyl)methyl]-3-methylbutan-1-amine
CID 17206743
N-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]-3,4-dimethylaniline
CID 39455864
N-[[4-methoxy-3-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine
CID 106449790
2-[[4-methoxy-3-[(3-methylphenyl)methoxy]phenyl]methylamino]ethanol
CID 92925113
2-[(3,4-diethoxyphenyl)methylamino]ethanol;hydrochloride
CID 17291954
6-[(3-ethoxy-4-methoxyphenyl)methylamino]hexan-1-ol
CID 103924096
N-[[3-ethoxy-4-(2-methylpropoxy)phenyl]methyl]-3-methoxypropan-1-amine
CID 100555664
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 4717598

Frequently Asked Questions

What is the IUPAC name of 2-[[4-methoxy-3-(2-methylpropoxy)phenyl]methylamino]ethanol?
The IUPAC name of 2-[[4-methoxy-3-(2-methylpropoxy)phenyl]methylamino]ethanol (CID 110878918) is 2-[[4-methoxy-3-(2-methylpropoxy)phenyl]methylamino]ethanol.
What is the SMILES notation for 2-[[4-methoxy-3-(2-methylpropoxy)phenyl]methylamino]ethanol?
The canonical SMILES for 2-[[4-methoxy-3-(2-methylpropoxy)phenyl]methylamino]ethanol is COc1ccc(CNCCO)cc1OCC(C)C.
What is the InChIKey of 2-[[4-methoxy-3-(2-methylpropoxy)phenyl]methylamino]ethanol?
The InChIKey is HLWHYHCRGKGINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-11(2)10-18-14-8-12(9-15-6-7-16)4-5-13(14)17-3/h4-5,8,11,15-16H,6-7,9-10H2,1-3H3.
What are the key properties of 2-[[4-methoxy-3-(2-methylpropoxy)phenyl]methylamino]ethanol?
2-[[4-methoxy-3-(2-methylpropoxy)phenyl]methylamino]ethanol has a molecular weight of 253.34 g/mol, XLogP of 1.81, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-methoxy-3-(2-methylpropoxy)phenyl]methylamino]ethanol is sourced from PubChem (CID 110878918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).