2-ethoxy-N-[(2-methoxy-5-methylphenyl)methyl]aniline

C17H21NO2 — CID 43408609

IUPAC2-ethoxy-N-[(2-methoxy-5-methylphenyl)methyl]aniline
SMILESCCOc1ccccc1NCc1cc(C)ccc1OC
InChIInChI=1S/C17H21NO2/c1-4-20-17-8-6-5-7-15(17)18-12-14-11-13(2)9-10-16(14)19-3/h5-11,18H,4,12H2,1-3H3
InChIKeyWVULVPAWIIBPSY-UHFFFAOYSA-N
MW271.36 g/mol
LogP4.01
Rot. Bonds6

About 2-ethoxy-N-[(2-methoxy-5-methylphenyl)methyl]aniline

2-ethoxy-N-[(2-methoxy-5-methylphenyl)methyl]aniline (PubChem CID 43408609) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-ethoxy-N-[(2-methoxy-5-methylphenyl)methyl]aniline.

Molecular Properties

Compound Name2-ethoxy-N-[(2-methoxy-5-methylphenyl)methyl]aniline
PubChem CID43408609
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name2-ethoxy-N-[(2-methoxy-5-methylphenyl)methyl]aniline
SMILESCCOc1ccccc1NCc1cc(C)ccc1OC
InChIInChI=1S/C17H21NO2/c1-4-20-17-8-6-5-7-15(17)18-12-14-11-13(2)9-10-16(14)19-3/h5-11,18H,4,12H2,1-3H3
InChIKeyWVULVPAWIIBPSY-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-[(5-bromo-2-methoxyphenyl)methyl]-2-ethoxyaniline
CID 43088137
2-[(2-ethoxyanilino)methyl]-4-methylphenol
CID 63323369
2-ethoxy-N-[(2-ethoxyphenyl)methyl]-4-methylaniline
CID 60935397
2,3-difluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 61075554
N-[(2-ethoxyphenyl)methyl]-2,4-dimethylaniline
CID 29274401
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methoxyaniline
CID 28612218
N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methoxyaniline
CID 43757786
N-(2-ethoxyphenyl)-3-(2-methoxy-5-methylanilino)propanamide
CID 47882363
2-bromo-3-chloro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 103478108
N-[(2-ethylphenyl)methyl]-2-methoxyaniline
CID 62391032
N-(2-ethoxyphenyl)-2-methoxy-4-methylbenzenesulfonamide
CID 50876640
2-[(2-ethoxyanilino)methyl]aniline
CID 66385823

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(2-methoxy-5-methylphenyl)methyl]aniline?
The IUPAC name of 2-ethoxy-N-[(2-methoxy-5-methylphenyl)methyl]aniline (CID 43408609) is 2-ethoxy-N-[(2-methoxy-5-methylphenyl)methyl]aniline.
What is the SMILES notation for 2-ethoxy-N-[(2-methoxy-5-methylphenyl)methyl]aniline?
The canonical SMILES for 2-ethoxy-N-[(2-methoxy-5-methylphenyl)methyl]aniline is CCOc1ccccc1NCc1cc(C)ccc1OC.
What is the InChIKey of 2-ethoxy-N-[(2-methoxy-5-methylphenyl)methyl]aniline?
The InChIKey is WVULVPAWIIBPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-4-20-17-8-6-5-7-15(17)18-12-14-11-13(2)9-10-16(14)19-3/h5-11,18H,4,12H2,1-3H3.
What are the key properties of 2-ethoxy-N-[(2-methoxy-5-methylphenyl)methyl]aniline?
2-ethoxy-N-[(2-methoxy-5-methylphenyl)methyl]aniline 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 2-ethoxy-N-[(2-methoxy-5-methylphenyl)methyl]aniline is sourced from PubChem (CID 43408609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).