N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylaniline

C17H21NO2 — CID 28609770

IUPACN-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylaniline
SMILESCCOc1ccc(CNc2cccc(C)c2)cc1OC
InChIInChI=1S/C17H21NO2/c1-4-20-16-9-8-14(11-17(16)19-3)12-18-15-7-5-6-13(2)10-15/h5-11,18H,4,12H2,1-3H3
InChIKeyXAKMOWRINOWDJE-UHFFFAOYSA-N
MW271.36 g/mol
LogP4.01
Rot. Bonds6

About N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylaniline

N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylaniline (PubChem CID 28609770) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylaniline.

Molecular Properties

Compound NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylaniline
PubChem CID28609770
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylaniline
SMILESCCOc1ccc(CNc2cccc(C)c2)cc1OC
InChIInChI=1S/C17H21NO2/c1-4-20-16-9-8-14(11-17(16)19-3)12-18-15-7-5-6-13(2)10-15/h5-11,18H,4,12H2,1-3H3
InChIKeyXAKMOWRINOWDJE-UHFFFAOYSA-N
XLogP4.01
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]-3-methylaniline
CID 39422766
3-[(4-ethoxy-3-methoxyphenyl)methylamino]phenol
CID 28722983
3-ethoxy-4-methoxy-N-[(3-methylphenyl)methyl]aniline
CID 43729859
1-(4-ethoxy-3-methoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 28664197
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)aniline
CID 78893817
N-[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methyl]-3-methylaniline
CID 126128630
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3,4-difluoroaniline
CID 28615179
3-ethoxy-N-[(4-methoxy-3-methylphenyl)methyl]aniline
CID 60935106
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-fluoro-4-methylaniline
CID 28890884
4-ethoxy-N-[(4-fluoro-3-methylphenyl)methyl]-3-methoxyaniline
CID 62120757
3-bromo-N-[(3-ethoxy-4-methoxyphenyl)methyl]-4-methylaniline
CID 63333064
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methoxyaniline
CID 28612218

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylaniline?
The IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylaniline (CID 28609770) is N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylaniline.
What is the SMILES notation for N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylaniline?
The canonical SMILES for N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylaniline is CCOc1ccc(CNc2cccc(C)c2)cc1OC.
What is the InChIKey of N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylaniline?
The InChIKey is XAKMOWRINOWDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-4-20-16-9-8-14(11-17(16)19-3)12-18-15-7-5-6-13(2)10-15/h5-11,18H,4,12H2,1-3H3.
What are the key properties of N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylaniline?
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylaniline has a molecular weight of 271.36 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylaniline is sourced from PubChem (CID 28609770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).