4-[1-[2-methoxyethyl(propan-2-yl)amino]ethyl]phenol

C14H23NO2 — CID 82982782

IUPAC4-[1-[2-methoxyethyl(propan-2-yl)amino]ethyl]phenol
SMILESCOCCN(C(C)C)C(C)c1ccc(O)cc1
InChIInChI=1S/C14H23NO2/c1-11(2)15(9-10-17-4)12(3)13-5-7-14(16)8-6-13/h5-8,11-12,16H,9-10H2,1-4H3
InChIKeyKSZZZVFSSIXHNQ-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.81
Rot. Bonds6

About 4-[1-[2-methoxyethyl(propan-2-yl)amino]ethyl]phenol

4-[1-[2-methoxyethyl(propan-2-yl)amino]ethyl]phenol (PubChem CID 82982782) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 4-[1-[2-methoxyethyl(propan-2-yl)amino]ethyl]phenol.

Molecular Properties

Compound Name4-[1-[2-methoxyethyl(propan-2-yl)amino]ethyl]phenol
PubChem CID82982782
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name4-[1-[2-methoxyethyl(propan-2-yl)amino]ethyl]phenol
SMILESCOCCN(C(C)C)C(C)c1ccc(O)cc1
InChIInChI=1S/C14H23NO2/c1-11(2)15(9-10-17-4)12(3)13-5-7-14(16)8-6-13/h5-8,11-12,16H,9-10H2,1-4H3
InChIKeyKSZZZVFSSIXHNQ-UHFFFAOYSA-N
XLogP2.81
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-hydroxyphenyl)ethyl]-2-methoxy-N-methylethanesulfonamide
CID 55014354
4-[1-[1-methoxypropan-2-yl(methyl)amino]ethyl]phenol
CID 82982525
4-[1-[2-ethoxyethyl(ethyl)amino]ethyl]phenol
CID 82980754
4-[2-[di(propan-2-yl)amino]ethoxy]phenol
CID 22975491
4-[1-[2-[2-methoxyethyl(methyl)amino]ethylamino]ethyl]phenol
CID 55126811
2-[1-(4-hydroxyphenyl)ethyl-propan-2-ylamino]acetamide
CID 82978295
2-[2-methoxyethyl(propan-2-yl)amino]-1-phenylpropan-1-ol
CID 82960332
N-(2-methoxyethyl)-1-(4-methylsulfanylphenyl)-N-propan-2-ylethane-1,2-diamine
CID 82948289
1-(4-bromophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine
CID 82948358
1-(4-chlorophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine
CID 82947962
4-[1-(dimethylamino)ethyl]phenol
CID 3029886
2-[2-methoxyethyl(propan-2-yl)amino]-1-phenylpropan-1-one
CID 82952096

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-methoxyethyl(propan-2-yl)amino]ethyl]phenol?
The IUPAC name of 4-[1-[2-methoxyethyl(propan-2-yl)amino]ethyl]phenol (CID 82982782) is 4-[1-[2-methoxyethyl(propan-2-yl)amino]ethyl]phenol.
What is the SMILES notation for 4-[1-[2-methoxyethyl(propan-2-yl)amino]ethyl]phenol?
The canonical SMILES for 4-[1-[2-methoxyethyl(propan-2-yl)amino]ethyl]phenol is COCCN(C(C)C)C(C)c1ccc(O)cc1.
What is the InChIKey of 4-[1-[2-methoxyethyl(propan-2-yl)amino]ethyl]phenol?
The InChIKey is KSZZZVFSSIXHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-11(2)15(9-10-17-4)12(3)13-5-7-14(16)8-6-13/h5-8,11-12,16H,9-10H2,1-4H3.
What are the key properties of 4-[1-[2-methoxyethyl(propan-2-yl)amino]ethyl]phenol?
4-[1-[2-methoxyethyl(propan-2-yl)amino]ethyl]phenol has a molecular weight of 237.34 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-methoxyethyl(propan-2-yl)amino]ethyl]phenol is sourced from PubChem (CID 82982782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).