4-[[1-(2-ethoxyphenyl)ethylamino]methyl]phenol

C17H21NO2 — CID 115715689

IUPAC4-[[1-(2-ethoxyphenyl)ethylamino]methyl]phenol
SMILESCCOc1ccccc1C(C)NCc1ccc(O)cc1
InChIInChI=1S/C17H21NO2/c1-3-20-17-7-5-4-6-16(17)13(2)18-12-14-8-10-15(19)11-9-14/h4-11,13,18-19H,3,12H2,1-2H3
InChIKeyVRXGYUXBSWTBKK-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.64
Rot. Bonds6

About 4-[[1-(2-ethoxyphenyl)ethylamino]methyl]phenol

4-[[1-(2-ethoxyphenyl)ethylamino]methyl]phenol (PubChem CID 115715689) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-[[1-(2-ethoxyphenyl)ethylamino]methyl]phenol.

Molecular Properties

Compound Name4-[[1-(2-ethoxyphenyl)ethylamino]methyl]phenol
PubChem CID115715689
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name4-[[1-(2-ethoxyphenyl)ethylamino]methyl]phenol
SMILESCCOc1ccccc1C(C)NCc1ccc(O)cc1
InChIInChI=1S/C17H21NO2/c1-3-20-17-7-5-4-6-16(17)13(2)18-12-14-8-10-15(19)11-9-14/h4-11,13,18-19H,3,12H2,1-2H3
InChIKeyVRXGYUXBSWTBKK-UHFFFAOYSA-N
XLogP3.64
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-N-[[4-(methoxymethyl)phenyl]methyl]-1-(2-methoxyphenyl)ethanamine
CID 81388530
(2R)-1-[1-(2-ethoxyphenyl)ethylamino]propan-2-ol
CID 103906642
ethyl 2-[1-(2-ethoxyphenyl)ethylamino]acetate
CID 60812252
2-methoxy-4-[[[(1S)-1-(2-methoxyphenyl)ethyl]amino]methyl]phenol
CID 28624338
2-methoxy-5-[[1-(2-methoxyphenyl)ethylamino]methyl]phenol
CID 43180902
N-[(4-fluorophenyl)methyl]-1-[2-(2-phenoxyethoxy)phenyl]ethanamine
CID 54803862
N-[1-(2-ethoxyphenyl)ethyl]-3-methylbut-2-en-1-amine
CID 113350530
5-[1-(2-ethoxyphenyl)ethylamino]pentan-1-ol
CID 113350527
N-ethyl-1-[2-[(4-methylphenyl)methoxy]phenyl]ethanamine
CID 43279645
4-[[[(1S)-1-(2-methoxyphenyl)ethyl]amino]methyl]-N,N-dimethylaniline
CID 28624330
5-[1-(2-ethoxyphenyl)ethylamino]pentan-2-ol
CID 107270389
6-[[[(1R)-1-(2-methoxyphenyl)ethyl]amino]methyl]pyridin-3-ol
CID 81396851

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-ethoxyphenyl)ethylamino]methyl]phenol?
The IUPAC name of 4-[[1-(2-ethoxyphenyl)ethylamino]methyl]phenol (CID 115715689) is 4-[[1-(2-ethoxyphenyl)ethylamino]methyl]phenol.
What is the SMILES notation for 4-[[1-(2-ethoxyphenyl)ethylamino]methyl]phenol?
The canonical SMILES for 4-[[1-(2-ethoxyphenyl)ethylamino]methyl]phenol is CCOc1ccccc1C(C)NCc1ccc(O)cc1.
What is the InChIKey of 4-[[1-(2-ethoxyphenyl)ethylamino]methyl]phenol?
The InChIKey is VRXGYUXBSWTBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-3-20-17-7-5-4-6-16(17)13(2)18-12-14-8-10-15(19)11-9-14/h4-11,13,18-19H,3,12H2,1-2H3.
What are the key properties of 4-[[1-(2-ethoxyphenyl)ethylamino]methyl]phenol?
4-[[1-(2-ethoxyphenyl)ethylamino]methyl]phenol has a molecular weight of 271.36 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-ethoxyphenyl)ethylamino]methyl]phenol is sourced from PubChem (CID 115715689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).