4-[[bis(2-methylpropyl)amino]methyl]-2-ethoxyphenol

C17H29NO2 — CID 82982111

IUPAC4-[[bis(2-methylpropyl)amino]methyl]-2-ethoxyphenol
SMILESCCOc1cc(CN(CC(C)C)CC(C)C)ccc1O
InChIInChI=1S/C17H29NO2/c1-6-20-17-9-15(7-8-16(17)19)12-18(10-13(2)3)11-14(4)5/h7-9,13-14,19H,6,10-12H2,1-5H3
InChIKeyIGJQPDRHDGMABS-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.90
Rot. Bonds8

About 4-[[bis(2-methylpropyl)amino]methyl]-2-ethoxyphenol

4-[[bis(2-methylpropyl)amino]methyl]-2-ethoxyphenol (PubChem CID 82982111) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 4-[[bis(2-methylpropyl)amino]methyl]-2-ethoxyphenol.

Molecular Properties

Compound Name4-[[bis(2-methylpropyl)amino]methyl]-2-ethoxyphenol
PubChem CID82982111
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name4-[[bis(2-methylpropyl)amino]methyl]-2-ethoxyphenol
SMILESCCOc1cc(CN(CC(C)C)CC(C)C)ccc1O
InChIInChI=1S/C17H29NO2/c1-6-20-17-9-15(7-8-16(17)19)12-18(10-13(2)3)11-14(4)5/h7-9,13-14,19H,6,10-12H2,1-5H3
InChIKeyIGJQPDRHDGMABS-UHFFFAOYSA-N
XLogP3.90
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-4-[[methyl(2-methylpropyl)amino]methyl]phenol
CID 82976727
4-[[ethyl(2-methylpropyl)amino]methyl]-2-methoxyphenol
CID 82977222
2-amino-4-[[bis(2-methylpropyl)amino]methyl]phenol
CID 43587541
2-ethoxy-4-[[2-methoxyethyl(propan-2-yl)amino]methyl]phenol
CID 82983167
4-[(3S)-3-aminobutyl]-2-ethoxyphenol
CID 94920449
2-ethoxy-4-[[2-methoxyethyl(pentan-3-yl)amino]methyl]phenol
CID 82958280
4-[[3-aminopropyl(methyl)amino]methyl]-2-ethoxyphenol
CID 113285683
2-(3-ethoxy-4-hydroxyphenyl)acetaldehyde
CID 54156927
2-ethoxy-4-(methylaminomethyl)phenol
CID 16776359
2-(3-ethoxy-4-hydroxyphenyl)-N'-hydroxyethanimidamide
CID 59395610
2-ethoxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol
CID 82980817
4-[[cyclopentyl(ethyl)amino]methyl]-2-ethoxyphenol
CID 82976563

Frequently Asked Questions

What is the IUPAC name of 4-[[bis(2-methylpropyl)amino]methyl]-2-ethoxyphenol?
The IUPAC name of 4-[[bis(2-methylpropyl)amino]methyl]-2-ethoxyphenol (CID 82982111) is 4-[[bis(2-methylpropyl)amino]methyl]-2-ethoxyphenol.
What is the SMILES notation for 4-[[bis(2-methylpropyl)amino]methyl]-2-ethoxyphenol?
The canonical SMILES for 4-[[bis(2-methylpropyl)amino]methyl]-2-ethoxyphenol is CCOc1cc(CN(CC(C)C)CC(C)C)ccc1O.
What is the InChIKey of 4-[[bis(2-methylpropyl)amino]methyl]-2-ethoxyphenol?
The InChIKey is IGJQPDRHDGMABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-6-20-17-9-15(7-8-16(17)19)12-18(10-13(2)3)11-14(4)5/h7-9,13-14,19H,6,10-12H2,1-5H3.
What are the key properties of 4-[[bis(2-methylpropyl)amino]methyl]-2-ethoxyphenol?
4-[[bis(2-methylpropyl)amino]methyl]-2-ethoxyphenol has a molecular weight of 279.42 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[bis(2-methylpropyl)amino]methyl]-2-ethoxyphenol is sourced from PubChem (CID 82982111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).