2-tert-butyl-4-methoxy-6-[2-(methylamino)ethyl]phenol

C14H23NO2 — CID 117347697

IUPAC2-tert-butyl-4-methoxy-6-[2-(methylamino)ethyl]phenol
SMILESCNCCc1cc(OC)cc(C(C)(C)C)c1O
InChIInChI=1S/C14H23NO2/c1-14(2,3)12-9-11(17-5)8-10(13(12)16)6-7-15-4/h8-9,15-16H,6-7H2,1-5H3
InChIKeyUCYZINWXPDYEOX-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.46
Rot. Bonds4

About 2-tert-butyl-4-methoxy-6-[2-(methylamino)ethyl]phenol

2-tert-butyl-4-methoxy-6-[2-(methylamino)ethyl]phenol (PubChem CID 117347697) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-tert-butyl-4-methoxy-6-[2-(methylamino)ethyl]phenol.

Molecular Properties

Compound Name2-tert-butyl-4-methoxy-6-[2-(methylamino)ethyl]phenol
PubChem CID117347697
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-tert-butyl-4-methoxy-6-[2-(methylamino)ethyl]phenol
SMILESCNCCc1cc(OC)cc(C(C)(C)C)c1O
InChIInChI=1S/C14H23NO2/c1-14(2,3)12-9-11(17-5)8-10(13(12)16)6-7-15-4/h8-9,15-16H,6-7H2,1-5H3
InChIKeyUCYZINWXPDYEOX-UHFFFAOYSA-N
XLogP2.46
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-4-methoxy-6-[(methoxyamino)methyl]phenol
CID 117351450
2,6-ditert-butyl-4-methoxyphenol
CID 10269
2-tert-butyl-4-methoxy-5-[2-(methylamino)ethyl]phenol
CID 117347696
1-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)propan-2-one
CID 117345137
2-(3-tert-butyl-2-methoxy-5-methylphenyl)-N-methylethanamine
CID 95452310
4-methoxy-2,3-dimethyl-6-[2-(methylamino)ethyl]phenol
CID 117299085
2-tert-butyl-6-(2-hydroxyphenyl)-4-methoxyphenol
CID 139908520
N-[(3-tert-butyl-2,5-dimethoxyphenyl)methyl]hydroxylamine
CID 117351391
2-tert-butyl-4-methoxyphenol;2-tert-butyl-4-methyl-6-(2-methylpropyl)phenol
CID 163490839
2-tert-butyl-6-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)propyl]-4-methylphenol
CID 24841439
3-[2-hydroxy-5-methoxy-3-(trifluoromethyl)phenyl]propanoic acid
CID 84807388
2-tert-butyl-6-(3-tert-butyl-5-methoxy-2-methylphenyl)-4-methoxyphenol
CID 166011841

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-methoxy-6-[2-(methylamino)ethyl]phenol?
The IUPAC name of 2-tert-butyl-4-methoxy-6-[2-(methylamino)ethyl]phenol (CID 117347697) is 2-tert-butyl-4-methoxy-6-[2-(methylamino)ethyl]phenol.
What is the SMILES notation for 2-tert-butyl-4-methoxy-6-[2-(methylamino)ethyl]phenol?
The canonical SMILES for 2-tert-butyl-4-methoxy-6-[2-(methylamino)ethyl]phenol is CNCCc1cc(OC)cc(C(C)(C)C)c1O.
What is the InChIKey of 2-tert-butyl-4-methoxy-6-[2-(methylamino)ethyl]phenol?
The InChIKey is UCYZINWXPDYEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-14(2,3)12-9-11(17-5)8-10(13(12)16)6-7-15-4/h8-9,15-16H,6-7H2,1-5H3.
What are the key properties of 2-tert-butyl-4-methoxy-6-[2-(methylamino)ethyl]phenol?
2-tert-butyl-4-methoxy-6-[2-(methylamino)ethyl]phenol has a molecular weight of 237.34 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-methoxy-6-[2-(methylamino)ethyl]phenol is sourced from PubChem (CID 117347697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).