2-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]ethanol

C13H20ClNO2 — CID 55219524

IUPAC2-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]ethanol
SMILESCC(C)(C)NCc1ccc(OCCO)c(Cl)c1
InChIInChI=1S/C13H20ClNO2/c1-13(2,3)15-9-10-4-5-12(11(14)8-10)17-7-6-16/h4-5,8,15-16H,6-7,9H2,1-3H3
InChIKeyUDMAJNBHFPXHPU-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.60
Rot. Bonds5

About 2-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]ethanol

2-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]ethanol (PubChem CID 55219524) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is 2-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]ethanol.

Molecular Properties

Compound Name2-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]ethanol
PubChem CID55219524
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name2-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]ethanol
SMILESCC(C)(C)NCc1ccc(OCCO)c(Cl)c1
InChIInChI=1S/C13H20ClNO2/c1-13(2,3)15-9-10-4-5-12(11(14)8-10)17-7-6-16/h4-5,8,15-16H,6-7,9H2,1-3H3
InChIKeyUDMAJNBHFPXHPU-UHFFFAOYSA-N
XLogP2.60
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-bromo-4-[(tert-butylamino)methyl]phenoxy]ethanol
CID 63063539
3-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]-N-methylpropanamide
CID 63058039
N-[[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 55147973
N-[(3-chloro-4-hexoxyphenyl)methyl]-2-methylpropan-2-amine
CID 63485646
methyl 3-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]propanoate
CID 63949713
N-[(3-chloro-4-ethoxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride
CID 17156923
3-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]-1,1,1-trifluoropropan-2-ol
CID 63902473
N-[[3-chloro-4-(2-methylidenebutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 66044236
N-[[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 59768355
2-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]-N-ethylacetamide
CID 63056680
N-[[3-chloro-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 59768534
2-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]-N-cyclopropylacetamide
CID 63056850

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]ethanol?
The IUPAC name of 2-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]ethanol (CID 55219524) is 2-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]ethanol.
What is the SMILES notation for 2-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]ethanol?
The canonical SMILES for 2-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]ethanol is CC(C)(C)NCc1ccc(OCCO)c(Cl)c1.
What is the InChIKey of 2-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]ethanol?
The InChIKey is UDMAJNBHFPXHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO2/c1-13(2,3)15-9-10-4-5-12(11(14)8-10)17-7-6-16/h4-5,8,15-16H,6-7,9H2,1-3H3.
What are the key properties of 2-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]ethanol?
2-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]ethanol has a molecular weight of 257.76 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]ethanol is sourced from PubChem (CID 55219524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).