N-[[4-[(3-ethoxyphenoxy)methyl]phenyl]methyl]ethanamine

C18H23NO2 — CID 62442576

IUPACN-[[4-[(3-ethoxyphenoxy)methyl]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(COc2cccc(OCC)c2)cc1
InChIInChI=1S/C18H23NO2/c1-3-19-13-15-8-10-16(11-9-15)14-21-18-7-5-6-17(12-18)20-4-2/h5-12,19H,3-4,13-14H2,1-2H3
InChIKeyYVOQPVJOFGDHER-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.77
Rot. Bonds8

About N-[[4-[(3-ethoxyphenoxy)methyl]phenyl]methyl]ethanamine

N-[[4-[(3-ethoxyphenoxy)methyl]phenyl]methyl]ethanamine (PubChem CID 62442576) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[[4-[(3-ethoxyphenoxy)methyl]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-[(3-ethoxyphenoxy)methyl]phenyl]methyl]ethanamine
PubChem CID62442576
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-[[4-[(3-ethoxyphenoxy)methyl]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(COc2cccc(OCC)c2)cc1
InChIInChI=1S/C18H23NO2/c1-3-19-13-15-8-10-16(11-9-15)14-21-18-7-5-6-17(12-18)20-4-2/h5-12,19H,3-4,13-14H2,1-2H3
InChIKeyYVOQPVJOFGDHER-UHFFFAOYSA-N
XLogP3.77
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[4-(ethylaminomethyl)phenyl]methoxy]-N,N-dimethylaniline
CID 62484357
4-[[(3-ethoxyphenyl)methylamino]methyl]phenol
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N-[[3-[(3-methoxyphenoxy)methyl]phenyl]methyl]ethanamine
CID 62453859
[4-[(3-ethoxyphenoxy)methyl]phenyl]boronic acid
CID 62337881
1-(4-ethoxyphenyl)-N-[(3-ethoxyphenyl)methyl]methanamine
CID 60776460
2-[4-[(3-ethoxyphenoxy)methyl]phenyl]acetic acid
CID 105344950
N-[[5-[(3-ethoxyphenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62443165
N-[[4-[(4-iodophenyl)methoxy]phenyl]methyl]ethanamine
CID 65499942
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17290745
N-[[3-[(3-chlorophenoxy)methyl]-4-fluorophenyl]methyl]ethanamine
CID 107457482
N-[[3-bromo-4-[(3-methoxyphenoxy)methyl]phenyl]methyl]ethanamine
CID 102772906
3-(3-ethoxyphenoxy)-N-ethylpropan-1-amine
CID 62337478

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3-ethoxyphenoxy)methyl]phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-[(3-ethoxyphenoxy)methyl]phenyl]methyl]ethanamine (CID 62442576) is N-[[4-[(3-ethoxyphenoxy)methyl]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-[(3-ethoxyphenoxy)methyl]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-[(3-ethoxyphenoxy)methyl]phenyl]methyl]ethanamine is CCNCc1ccc(COc2cccc(OCC)c2)cc1.
What is the InChIKey of N-[[4-[(3-ethoxyphenoxy)methyl]phenyl]methyl]ethanamine?
The InChIKey is YVOQPVJOFGDHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-3-19-13-15-8-10-16(11-9-15)14-21-18-7-5-6-17(12-18)20-4-2/h5-12,19H,3-4,13-14H2,1-2H3.
What are the key properties of N-[[4-[(3-ethoxyphenoxy)methyl]phenyl]methyl]ethanamine?
N-[[4-[(3-ethoxyphenoxy)methyl]phenyl]methyl]ethanamine has a molecular weight of 285.39 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3-ethoxyphenoxy)methyl]phenyl]methyl]ethanamine is sourced from PubChem (CID 62442576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).