N-[(4-ethylphenyl)-(4-methoxyphenyl)methyl]ethanamine

C18H23NO — CID 43489197

IUPACN-[(4-ethylphenyl)-(4-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(CC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C18H23NO/c1-4-14-6-8-15(9-7-14)18(19-5-2)16-10-12-17(20-3)13-11-16/h6-13,18-19H,4-5H2,1-3H3
InChIKeyYYIUDQSZACIXDA-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.96
Rot. Bonds6

About N-[(4-ethylphenyl)-(4-methoxyphenyl)methyl]ethanamine

N-[(4-ethylphenyl)-(4-methoxyphenyl)methyl]ethanamine (PubChem CID 43489197) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[(4-ethylphenyl)-(4-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-ethylphenyl)-(4-methoxyphenyl)methyl]ethanamine
PubChem CID43489197
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-[(4-ethylphenyl)-(4-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(CC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C18H23NO/c1-4-14-6-8-15(9-7-14)18(19-5-2)16-10-12-17(20-3)13-11-16/h6-13,18-19H,4-5H2,1-3H3
InChIKeyYYIUDQSZACIXDA-UHFFFAOYSA-N
XLogP3.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[bis(4-ethylphenyl)methyl]ethanamine
CID 43491437
N-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 43489198
N-[(4-methoxyphenyl)-thiophen-3-ylmethyl]ethanamine
CID 43489158
N-[(3,5-difluorophenyl)-(4-methoxyphenyl)methyl]ethanamine
CID 43489212
N-[(3-iodophenyl)-(4-methoxyphenyl)methyl]ethanamine
CID 43489185
N-[(3,4-dichlorophenyl)-(4-ethylphenyl)methyl]ethanamine
CID 43491461
N-[(3,5-dibromophenyl)-(4-ethylphenyl)methyl]ethanamine
CID 107974191
N-[(4-ethylphenyl)-(1H-pyrazol-4-yl)methyl]ethanamine
CID 114990815
N-[(4-ethylphenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine
CID 104515338
N-[1,3-benzodioxol-5-yl-(4-methoxyphenyl)methyl]ethanamine
CID 43489246
N-[(4-methoxyphenyl)-(2,4,5-trifluorophenyl)methyl]ethanamine
CID 103302641
ethane;N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 143132018

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)-(4-methoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(4-ethylphenyl)-(4-methoxyphenyl)methyl]ethanamine (CID 43489197) is N-[(4-ethylphenyl)-(4-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-ethylphenyl)-(4-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-ethylphenyl)-(4-methoxyphenyl)methyl]ethanamine is CCNC(c1ccc(CC)cc1)c1ccc(OC)cc1.
What is the InChIKey of N-[(4-ethylphenyl)-(4-methoxyphenyl)methyl]ethanamine?
The InChIKey is YYIUDQSZACIXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-4-14-6-8-15(9-7-14)18(19-5-2)16-10-12-17(20-3)13-11-16/h6-13,18-19H,4-5H2,1-3H3.
What are the key properties of N-[(4-ethylphenyl)-(4-methoxyphenyl)methyl]ethanamine?
N-[(4-ethylphenyl)-(4-methoxyphenyl)methyl]ethanamine has a molecular weight of 269.39 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)-(4-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 43489197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).