1-(4-ethoxyphenyl)-N-[(4-ethoxyphenyl)methyl]methanamine;hydrochloride

C18H24ClNO2 — CID 170995213

IUPAC1-(4-ethoxyphenyl)-N-[(4-ethoxyphenyl)methyl]methanamine;hydrochloride
SMILESCCOc1ccc(CNCc2ccc(OCC)cc2)cc1.Cl
InChIInChI=1S/C18H23NO2.ClH/c1-3-20-17-9-5-15(6-10-17)13-19-14-16-7-11-18(12-8-16)21-4-2;/h5-12,19H,3-4,13-14H2,1-2H3;1H
InChIKeyGJVSKAQCCTVRKW-UHFFFAOYSA-N
MW321.85 g/mol
LogP4.20
Rot. Bonds8

About 1-(4-ethoxyphenyl)-N-[(4-ethoxyphenyl)methyl]methanamine;hydrochloride

1-(4-ethoxyphenyl)-N-[(4-ethoxyphenyl)methyl]methanamine;hydrochloride (PubChem CID 170995213) has the molecular formula C18H24ClNO2 and a molecular weight of 321.85 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-N-[(4-ethoxyphenyl)methyl]methanamine;hydrochloride.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-N-[(4-ethoxyphenyl)methyl]methanamine;hydrochloride
PubChem CID170995213
Molecular FormulaC18H24ClNO2
Molecular Weight321.85 g/mol
Exact Mass321.15
IUPAC Name1-(4-ethoxyphenyl)-N-[(4-ethoxyphenyl)methyl]methanamine;hydrochloride
SMILESCCOc1ccc(CNCc2ccc(OCC)cc2)cc1.Cl
InChIInChI=1S/C18H23NO2.ClH/c1-3-20-17-9-5-15(6-10-17)13-19-14-16-7-11-18(12-8-16)21-4-2;/h5-12,19H,3-4,13-14H2,1-2H3;1H
InChIKeyGJVSKAQCCTVRKW-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-(bromomethyl)-1-(4-ethoxyphenyl)methanamine
CID 115261867
N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 17291298
4-[[(4-ethoxyphenyl)methylamino]methyl]benzoic acid;hydrochloride
CID 6458588
1-(4-ethoxyphenyl)-N-[(3-ethoxyphenyl)methyl]methanamine
CID 60776460
N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine
CID 961342
N-[(4-ethoxyphenyl)methyl]hexan-1-amine;hydrochloride
CID 17291090
3-[(4-ethoxyphenyl)methylamino]propan-1-ol
CID 7991761
N-[(4-ethoxyphenyl)methyl]-3-fluoropropan-1-amine
CID 115733079
[3-[[(4-ethoxyphenyl)methylamino]methyl]phenyl]methanol
CID 103648633
1-(4-ethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 834212
1-(4-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanamine
CID 738542
1-(4-ethoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
CID 113221923

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-N-[(4-ethoxyphenyl)methyl]methanamine;hydrochloride?
The IUPAC name of 1-(4-ethoxyphenyl)-N-[(4-ethoxyphenyl)methyl]methanamine;hydrochloride (CID 170995213) is 1-(4-ethoxyphenyl)-N-[(4-ethoxyphenyl)methyl]methanamine;hydrochloride.
What is the SMILES notation for 1-(4-ethoxyphenyl)-N-[(4-ethoxyphenyl)methyl]methanamine;hydrochloride?
The canonical SMILES for 1-(4-ethoxyphenyl)-N-[(4-ethoxyphenyl)methyl]methanamine;hydrochloride is CCOc1ccc(CNCc2ccc(OCC)cc2)cc1.Cl.
What is the InChIKey of 1-(4-ethoxyphenyl)-N-[(4-ethoxyphenyl)methyl]methanamine;hydrochloride?
The InChIKey is GJVSKAQCCTVRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2.ClH/c1-3-20-17-9-5-15(6-10-17)13-19-14-16-7-11-18(12-8-16)21-4-2;/h5-12,19H,3-4,13-14H2,1-2H3;1H.
What are the key properties of 1-(4-ethoxyphenyl)-N-[(4-ethoxyphenyl)methyl]methanamine;hydrochloride?
1-(4-ethoxyphenyl)-N-[(4-ethoxyphenyl)methyl]methanamine;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 1-(4-ethoxyphenyl)-N-[(4-ethoxyphenyl)methyl]methanamine;hydrochloride is sourced from PubChem (CID 170995213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).