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

C15H25NO3 — CID 17211061

IUPAC2-[2-methoxy-4-[(2-methylbutan-2-ylamino)methyl]phenoxy]ethanol
SMILESCCC(C)(C)NCc1ccc(OCCO)c(OC)c1
InChIInChI=1S/C15H25NO3/c1-5-15(2,3)16-11-12-6-7-13(19-9-8-17)14(10-12)18-4/h6-7,10,16-17H,5,8-9,11H2,1-4H3
InChIKeyXCMFCFGTXYZGFU-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.34
Rot. Bonds8

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

2-[2-methoxy-4-[(2-methylbutan-2-ylamino)methyl]phenoxy]ethanol (PubChem CID 17211061) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-[2-methoxy-4-[(2-methylbutan-2-ylamino)methyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[2-methoxy-4-[(2-methylbutan-2-ylamino)methyl]phenoxy]ethanol
PubChem CID17211061
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name2-[2-methoxy-4-[(2-methylbutan-2-ylamino)methyl]phenoxy]ethanol
SMILESCCC(C)(C)NCc1ccc(OCCO)c(OC)c1
InChIInChI=1S/C15H25NO3/c1-5-15(2,3)16-11-12-6-7-13(19-9-8-17)14(10-12)18-4/h6-7,10,16-17H,5,8-9,11H2,1-4H3
InChIKeyXCMFCFGTXYZGFU-UHFFFAOYSA-N
XLogP2.34
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-ethoxy-4-[(2-methylbutan-2-ylamino)methyl]phenoxy]ethanol
CID 29228499
N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylbutan-2-amine
CID 17210747
2-(4-ethyl-2-methoxyphenoxy)ethanol
CID 67567470
N-[(3-methoxy-4-pentoxyphenyl)methyl]-2-methylpropan-2-amine
CID 54847727
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methylpentan-2-amine
CID 115621687
N-[(3,4-dimethoxyphenyl)methyl]-2-methylpentan-2-amine
CID 113234422
2-[2-methoxy-4-(methoxymethyl)phenoxy]ethanol
CID 102411892
2-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]-N-methylacetamide
CID 63000645
methyl 3-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]propanoate
CID 63950315
2-[(3-methoxy-4-propoxyphenyl)methylamino]ethanol
CID 29225754
2-[2-methoxy-4-[[(2-methoxyphenyl)methylamino]methyl]phenoxy]ethanol
CID 17208366
(2R)-2-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methylamino]propanoic acid
CID 95003448

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-[(2-methylbutan-2-ylamino)methyl]phenoxy]ethanol?
The IUPAC name of 2-[2-methoxy-4-[(2-methylbutan-2-ylamino)methyl]phenoxy]ethanol (CID 17211061) is 2-[2-methoxy-4-[(2-methylbutan-2-ylamino)methyl]phenoxy]ethanol.
What is the SMILES notation for 2-[2-methoxy-4-[(2-methylbutan-2-ylamino)methyl]phenoxy]ethanol?
The canonical SMILES for 2-[2-methoxy-4-[(2-methylbutan-2-ylamino)methyl]phenoxy]ethanol is CCC(C)(C)NCc1ccc(OCCO)c(OC)c1.
What is the InChIKey of 2-[2-methoxy-4-[(2-methylbutan-2-ylamino)methyl]phenoxy]ethanol?
The InChIKey is XCMFCFGTXYZGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-5-15(2,3)16-11-12-6-7-13(19-9-8-17)14(10-12)18-4/h6-7,10,16-17H,5,8-9,11H2,1-4H3.
What are the key properties of 2-[2-methoxy-4-[(2-methylbutan-2-ylamino)methyl]phenoxy]ethanol?
2-[2-methoxy-4-[(2-methylbutan-2-ylamino)methyl]phenoxy]ethanol has a molecular weight of 267.37 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-[(2-methylbutan-2-ylamino)methyl]phenoxy]ethanol is sourced from PubChem (CID 17211061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).