N-[(4-ethoxyphenyl)-(3-methoxyphenyl)methyl]ethanamine

C18H23NO2 — CID 43489444

IUPACN-[(4-ethoxyphenyl)-(3-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OCC)cc1)c1cccc(OC)c1
InChIInChI=1S/C18H23NO2/c1-4-19-18(15-7-6-8-17(13-15)20-3)14-9-11-16(12-10-14)21-5-2/h6-13,18-19H,4-5H2,1-3H3
InChIKeyXFSCQRGBGSTJDH-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.79
Rot. Bonds7

About N-[(4-ethoxyphenyl)-(3-methoxyphenyl)methyl]ethanamine

N-[(4-ethoxyphenyl)-(3-methoxyphenyl)methyl]ethanamine (PubChem CID 43489444) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)-(3-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)-(3-methoxyphenyl)methyl]ethanamine
PubChem CID43489444
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-[(4-ethoxyphenyl)-(3-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OCC)cc1)c1cccc(OC)c1
InChIInChI=1S/C18H23NO2/c1-4-19-18(15-7-6-8-17(13-15)20-3)14-9-11-16(12-10-14)21-5-2/h6-13,18-19H,4-5H2,1-3H3
InChIKeyXFSCQRGBGSTJDH-UHFFFAOYSA-N
XLogP3.79
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-ethoxyphenyl)-(3-iodophenyl)methyl]ethanamine
CID 43489415
N-[(4-ethoxyphenyl)-(3-ethylphenyl)methyl]ethanamine
CID 105018505
1-(3-ethoxyphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 60819656
N-[(3-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine
CID 60797781
N-[(2-chlorophenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 61030140
N-[(3,5-dimethylphenyl)-(3-ethoxyphenyl)methyl]ethanamine
CID 60919282
N-[(3-iodophenyl)-(4-methoxyphenyl)methyl]ethanamine
CID 43489185
N-[(3,5-dibromophenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 107973557
N-[(3-ethoxyphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 63155416
N-[(3-chloro-2-fluorophenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 64712795
N-[(2-chloro-5-fluorophenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 105394636
N-[(2-chloro-4,5-difluorophenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 107476523

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)-(3-methoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(4-ethoxyphenyl)-(3-methoxyphenyl)methyl]ethanamine (CID 43489444) is N-[(4-ethoxyphenyl)-(3-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-ethoxyphenyl)-(3-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-ethoxyphenyl)-(3-methoxyphenyl)methyl]ethanamine is CCNC(c1ccc(OCC)cc1)c1cccc(OC)c1.
What is the InChIKey of N-[(4-ethoxyphenyl)-(3-methoxyphenyl)methyl]ethanamine?
The InChIKey is XFSCQRGBGSTJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-4-19-18(15-7-6-8-17(13-15)20-3)14-9-11-16(12-10-14)21-5-2/h6-13,18-19H,4-5H2,1-3H3.
What are the key properties of N-[(4-ethoxyphenyl)-(3-methoxyphenyl)methyl]ethanamine?
N-[(4-ethoxyphenyl)-(3-methoxyphenyl)methyl]ethanamine has a molecular weight of 285.39 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)-(3-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 43489444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).