2-[(5-tert-butyl-2-methoxyphenyl)methylamino]ethanol

C14H23NO2 — CID 94687236

IUPAC2-[(5-tert-butyl-2-methoxyphenyl)methylamino]ethanol
SMILESCOc1ccc(C(C)(C)C)cc1CNCCO
InChIInChI=1S/C14H23NO2/c1-14(2,3)12-5-6-13(17-4)11(9-12)10-15-7-8-16/h5-6,9,15-16H,7-8,10H2,1-4H3
InChIKeyQZQHSVDIRKZCIN-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.07
Rot. Bonds5

About 2-[(5-tert-butyl-2-methoxyphenyl)methylamino]ethanol

2-[(5-tert-butyl-2-methoxyphenyl)methylamino]ethanol (PubChem CID 94687236) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-[(5-tert-butyl-2-methoxyphenyl)methylamino]ethanol.

Molecular Properties

Compound Name2-[(5-tert-butyl-2-methoxyphenyl)methylamino]ethanol
PubChem CID94687236
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-[(5-tert-butyl-2-methoxyphenyl)methylamino]ethanol
SMILESCOc1ccc(C(C)(C)C)cc1CNCCO
InChIInChI=1S/C14H23NO2/c1-14(2,3)12-5-6-13(17-4)11(9-12)10-15-7-8-16/h5-6,9,15-16H,7-8,10H2,1-4H3
InChIKeyQZQHSVDIRKZCIN-UHFFFAOYSA-N
XLogP2.07
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[(5-tert-butyl-2-methoxyphenyl)methyl]-N-ethylethane-1,2-diamine
CID 115205811
N-(bromomethyl)-1-(5-tert-butyl-2-methoxyphenyl)methanamine
CID 115261853
N'-[(5-tert-butyl-2-methoxyphenyl)methyl]butane-1,4-diamine
CID 115201190
1-(5-tert-butyl-2-methoxyphenyl)-N-methoxymethanamine
CID 117320541
2-(5-tert-butyl-2-methoxyphenyl)acetohydrazide
CID 116843348
2-[2-[(2-methoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride
CID 17294920
(5-tert-butyl-2-methoxyphenyl)methanamine
CID 82075869
(5-tert-butyl-2-methoxyphenyl)methanethiol
CID 83533648
2-(5-tert-butyl-2-methoxyphenyl)-N'-methylacetohydrazide
CID 116846169
2-[(2-ethoxy-5-methoxyphenyl)methylamino]ethanol
CID 97179200
1-(5-tert-butyl-2-methoxyphenyl)propan-2-ol
CID 117318705
2-[(5-chloro-2-methoxy-4-methylphenyl)methylamino]ethanol
CID 96660011

Frequently Asked Questions

What is the IUPAC name of 2-[(5-tert-butyl-2-methoxyphenyl)methylamino]ethanol?
The IUPAC name of 2-[(5-tert-butyl-2-methoxyphenyl)methylamino]ethanol (CID 94687236) is 2-[(5-tert-butyl-2-methoxyphenyl)methylamino]ethanol.
What is the SMILES notation for 2-[(5-tert-butyl-2-methoxyphenyl)methylamino]ethanol?
The canonical SMILES for 2-[(5-tert-butyl-2-methoxyphenyl)methylamino]ethanol is COc1ccc(C(C)(C)C)cc1CNCCO.
What is the InChIKey of 2-[(5-tert-butyl-2-methoxyphenyl)methylamino]ethanol?
The InChIKey is QZQHSVDIRKZCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-14(2,3)12-5-6-13(17-4)11(9-12)10-15-7-8-16/h5-6,9,15-16H,7-8,10H2,1-4H3.
What are the key properties of 2-[(5-tert-butyl-2-methoxyphenyl)methylamino]ethanol?
2-[(5-tert-butyl-2-methoxyphenyl)methylamino]ethanol has a molecular weight of 237.34 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-tert-butyl-2-methoxyphenyl)methylamino]ethanol is sourced from PubChem (CID 94687236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).