2-[2-ethoxy-4-[(2-methylbutan-2-ylamino)methyl]phenoxy]ethanol

C16H27NO3 — CID 29228499

IUPAC2-[2-ethoxy-4-[(2-methylbutan-2-ylamino)methyl]phenoxy]ethanol
SMILESCCOc1cc(CNC(C)(C)CC)ccc1OCCO
InChIInChI=1S/C16H27NO3/c1-5-16(3,4)17-12-13-7-8-14(20-10-9-18)15(11-13)19-6-2/h7-8,11,17-18H,5-6,9-10,12H2,1-4H3
InChIKeyCLRLHDGAPRFCCM-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.73
Rot. Bonds9

About 2-[2-ethoxy-4-[(2-methylbutan-2-ylamino)methyl]phenoxy]ethanol

2-[2-ethoxy-4-[(2-methylbutan-2-ylamino)methyl]phenoxy]ethanol (PubChem CID 29228499) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-[2-ethoxy-4-[(2-methylbutan-2-ylamino)methyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[2-ethoxy-4-[(2-methylbutan-2-ylamino)methyl]phenoxy]ethanol
PubChem CID29228499
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name2-[2-ethoxy-4-[(2-methylbutan-2-ylamino)methyl]phenoxy]ethanol
SMILESCCOc1cc(CNC(C)(C)CC)ccc1OCCO
InChIInChI=1S/C16H27NO3/c1-5-16(3,4)17-12-13-7-8-14(20-10-9-18)15(11-13)19-6-2/h7-8,11,17-18H,5-6,9-10,12H2,1-4H3
InChIKeyCLRLHDGAPRFCCM-UHFFFAOYSA-N
XLogP2.73
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-methoxy-4-[(2-methylbutan-2-ylamino)methyl]phenoxy]ethanol
CID 17211061
N-[(3,4-diethoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine
CID 4722949
2-[(3-ethoxy-4-prop-2-enoxyphenyl)methylamino]-2-methylpropan-1-ol
CID 4109207
2-[2-ethoxy-4-[[(4-methoxyphenyl)methylamino]methyl]phenoxy]ethanol
CID 29228432
2-[(3-ethoxy-4-prop-2-ynoxyphenyl)methylamino]-2-methylpropan-1-ol;hydrochloride
CID 2990447
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methylpentan-2-amine
CID 115621687
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 4717191
2-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]ethanol
CID 55219524
2-[2-bromo-4-[(tert-butylamino)methyl]phenoxy]ethanol
CID 63063539
4-[2-ethoxy-4-(methylaminomethyl)phenoxy]-2-methylbutan-2-ol
CID 79361669
2-[2-[(3-ethoxy-4-propoxyphenyl)methylamino]ethoxy]ethanol
CID 29227627
2-[4-[[3-(dibutylamino)propylamino]methyl]-2-ethoxyphenoxy]ethanol
CID 29242019

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-4-[(2-methylbutan-2-ylamino)methyl]phenoxy]ethanol?
The IUPAC name of 2-[2-ethoxy-4-[(2-methylbutan-2-ylamino)methyl]phenoxy]ethanol (CID 29228499) is 2-[2-ethoxy-4-[(2-methylbutan-2-ylamino)methyl]phenoxy]ethanol.
What is the SMILES notation for 2-[2-ethoxy-4-[(2-methylbutan-2-ylamino)methyl]phenoxy]ethanol?
The canonical SMILES for 2-[2-ethoxy-4-[(2-methylbutan-2-ylamino)methyl]phenoxy]ethanol is CCOc1cc(CNC(C)(C)CC)ccc1OCCO.
What is the InChIKey of 2-[2-ethoxy-4-[(2-methylbutan-2-ylamino)methyl]phenoxy]ethanol?
The InChIKey is CLRLHDGAPRFCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-5-16(3,4)17-12-13-7-8-14(20-10-9-18)15(11-13)19-6-2/h7-8,11,17-18H,5-6,9-10,12H2,1-4H3.
What are the key properties of 2-[2-ethoxy-4-[(2-methylbutan-2-ylamino)methyl]phenoxy]ethanol?
2-[2-ethoxy-4-[(2-methylbutan-2-ylamino)methyl]phenoxy]ethanol has a molecular weight of 281.40 g/mol, XLogP of 2.73, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-4-[(2-methylbutan-2-ylamino)methyl]phenoxy]ethanol is sourced from PubChem (CID 29228499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).