N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride

C18H24ClNO2 — CID 17290759

IUPACN-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
SMILESCCNCc1cccc(OCC)c1OCc1ccccc1.Cl
InChIInChI=1S/C18H23NO2.ClH/c1-3-19-13-16-11-8-12-17(20-4-2)18(16)21-14-15-9-6-5-7-10-15;/h5-12,19H,3-4,13-14H2,1-2H3;1H
InChIKeyGQYZQAIWRCEDMK-UHFFFAOYSA-N
MW321.85 g/mol
LogP4.20
Rot. Bonds8

About N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride

N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride (PubChem CID 17290759) has the molecular formula C18H24ClNO2 and a molecular weight of 321.85 g/mol. Its IUPAC name is N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
PubChem CID17290759
Molecular FormulaC18H24ClNO2
Molecular Weight321.85 g/mol
Exact Mass321.15
IUPAC NameN-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
SMILESCCNCc1cccc(OCC)c1OCc1ccccc1.Cl
InChIInChI=1S/C18H23NO2.ClH/c1-3-19-13-16-11-8-12-17(20-4-2)18(16)21-14-15-9-6-5-7-10-15;/h5-12,19H,3-4,13-14H2,1-2H3;1H
InChIKeyGQYZQAIWRCEDMK-UHFFFAOYSA-N
XLogP4.20
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.85
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]ethanamine;hydrochloride
CID 17206149
2-[2-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]ethylamino]ethanol
CID 4724426
N-[(2,3-diethoxyphenyl)methyl]ethanamine
CID 43278924
1-[2-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]ethylamino]propan-2-ol
CID 4724419
2-[3-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]propylamino]ethanol
CID 17214307
N-[[3-ethoxy-2-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine
CID 43278943
N-[[2-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-phenylmethanamine
CID 17212716
3-ethoxy-N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]propan-1-amine
CID 4716380
N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride
CID 17332966
N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]butan-2-amine
CID 4717056
2-[2-ethoxy-6-(ethylaminomethyl)phenoxy]acetic acid
CID 102535781
2-[[3-ethoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]ethanol
CID 6472106

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride?
The IUPAC name of N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride (CID 17290759) is N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride.
What is the SMILES notation for N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride?
The canonical SMILES for N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride is CCNCc1cccc(OCC)c1OCc1ccccc1.Cl.
What is the InChIKey of N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride?
The InChIKey is GQYZQAIWRCEDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2.ClH/c1-3-19-13-16-11-8-12-17(20-4-2)18(16)21-14-15-9-6-5-7-10-15;/h5-12,19H,3-4,13-14H2,1-2H3;1H.
What are the key properties of N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride?
N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride has a molecular weight of 321.85 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride is sourced from PubChem (CID 17290759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).