1-[2-(3-chlorophenoxy)ethyl-ethylamino]-2-methylpropan-2-ol

C14H22ClNO2 — CID 79389653

IUPAC1-[2-(3-chlorophenoxy)ethyl-ethylamino]-2-methylpropan-2-ol
SMILESCCN(CCOc1cccc(Cl)c1)CC(C)(C)O
InChIInChI=1S/C14H22ClNO2/c1-4-16(11-14(2,3)17)8-9-18-13-7-5-6-12(15)10-13/h5-7,10,17H,4,8-9,11H2,1-3H3
InChIKeyWASXFTOOHOPBTA-UHFFFAOYSA-N
MW271.79 g/mol
LogP2.81
Rot. Bonds7

About 1-[2-(3-chlorophenoxy)ethyl-ethylamino]-2-methylpropan-2-ol

1-[2-(3-chlorophenoxy)ethyl-ethylamino]-2-methylpropan-2-ol (PubChem CID 79389653) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is 1-[2-(3-chlorophenoxy)ethyl-ethylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[2-(3-chlorophenoxy)ethyl-ethylamino]-2-methylpropan-2-ol
PubChem CID79389653
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC Name1-[2-(3-chlorophenoxy)ethyl-ethylamino]-2-methylpropan-2-ol
SMILESCCN(CCOc1cccc(Cl)c1)CC(C)(C)O
InChIInChI=1S/C14H22ClNO2/c1-4-16(11-14(2,3)17)8-9-18-13-7-5-6-12(15)10-13/h5-7,10,17H,4,8-9,11H2,1-3H3
InChIKeyWASXFTOOHOPBTA-UHFFFAOYSA-N
XLogP2.81
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[2-(3-chlorophenoxy)ethyl]-N'-ethylethane-1,2-diamine
CID 103102306
1-[ethyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]-2-methylpropan-2-ol
CID 78962368
2-[2-(3-chlorophenoxy)ethyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107485888
2-(3-tert-butylphenoxy)-N,N-diethylethanamine
CID 20619676
methyl 2-[2-(3-chlorophenoxy)ethyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62954669
1-[[3-(3-chlorophenyl)-3-(ethylamino)propyl]-ethylamino]-2-methylpropan-2-ol
CID 79377199
2-(3-chlorophenoxy)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106614950
1-[[2-(3-chlorophenyl)-2-hydroxyethyl]-ethylamino]-2-methylpropan-2-ol
CID 111496501
1-[2-(2,5-dimethylphenoxy)ethyl-ethylamino]-2-methylpropan-2-ol
CID 78963538
1-[ethyl-[3-(4-fluorophenoxy)propyl]amino]-2-methylpropan-2-ol
CID 78963624
N,N-diethyl-2-[3-(trifluoromethyl)phenoxy]ethanamine
CID 2993848
N'-[2-(4-chlorophenoxy)ethyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine
CID 79667626

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenoxy)ethyl-ethylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[2-(3-chlorophenoxy)ethyl-ethylamino]-2-methylpropan-2-ol (CID 79389653) is 1-[2-(3-chlorophenoxy)ethyl-ethylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[2-(3-chlorophenoxy)ethyl-ethylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[2-(3-chlorophenoxy)ethyl-ethylamino]-2-methylpropan-2-ol is CCN(CCOc1cccc(Cl)c1)CC(C)(C)O.
What is the InChIKey of 1-[2-(3-chlorophenoxy)ethyl-ethylamino]-2-methylpropan-2-ol?
The InChIKey is WASXFTOOHOPBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2/c1-4-16(11-14(2,3)17)8-9-18-13-7-5-6-12(15)10-13/h5-7,10,17H,4,8-9,11H2,1-3H3.
What are the key properties of 1-[2-(3-chlorophenoxy)ethyl-ethylamino]-2-methylpropan-2-ol?
1-[2-(3-chlorophenoxy)ethyl-ethylamino]-2-methylpropan-2-ol has a molecular weight of 271.79 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenoxy)ethyl-ethylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 79389653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).