3-ethoxy-N-[(4-methoxy-3-methylphenyl)methyl]aniline

C17H21NO2 — CID 60935106

IUPAC3-ethoxy-N-[(4-methoxy-3-methylphenyl)methyl]aniline
SMILESCCOc1cccc(NCc2ccc(OC)c(C)c2)c1
InChIInChI=1S/C17H21NO2/c1-4-20-16-7-5-6-15(11-16)18-12-14-8-9-17(19-3)13(2)10-14/h5-11,18H,4,12H2,1-3H3
InChIKeyYXEKCBPNFBSTPI-UHFFFAOYSA-N
MW271.36 g/mol
LogP4.01
Rot. Bonds6

About 3-ethoxy-N-[(4-methoxy-3-methylphenyl)methyl]aniline

3-ethoxy-N-[(4-methoxy-3-methylphenyl)methyl]aniline (PubChem CID 60935106) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-ethoxy-N-[(4-methoxy-3-methylphenyl)methyl]aniline.

Molecular Properties

Compound Name3-ethoxy-N-[(4-methoxy-3-methylphenyl)methyl]aniline
PubChem CID60935106
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name3-ethoxy-N-[(4-methoxy-3-methylphenyl)methyl]aniline
SMILESCCOc1cccc(NCc2ccc(OC)c(C)c2)c1
InChIInChI=1S/C17H21NO2/c1-4-20-16-7-5-6-15(11-16)18-12-14-8-9-17(19-3)13(2)10-14/h5-11,18H,4,12H2,1-3H3
InChIKeyYXEKCBPNFBSTPI-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

5-[(3-ethoxyanilino)methyl]-2-methoxybenzonitrile
CID 65340614
3-bromo-N-[(4-methoxy-3-methylphenyl)methyl]aniline
CID 43762883
3-[(4-methoxy-3-methylphenyl)methylamino]phenol
CID 43771044
3-ethoxy-N-[(2-methoxyphenyl)methyl]aniline
CID 54800907
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylaniline
CID 28609770
N-[(4-methoxy-3-methylphenyl)methyl]-3-propan-2-ylaniline
CID 43769003
N-[(3,4-dimethylphenyl)methyl]-3-(2-methoxyethoxy)aniline
CID 60935517
N-[(4-methoxy-3-methylphenyl)methyl]-3-(trifluoromethyl)aniline
CID 43758496
N-[(3-chloro-4-methoxyphenyl)methyl]-3-propoxyaniline
CID 65022702
3-[(3-ethoxyanilino)methyl]aniline
CID 83961381
N-[(3-ethoxyphenyl)methyl]-3-propoxyaniline
CID 54800526
N-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxyaniline
CID 65022380

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[(4-methoxy-3-methylphenyl)methyl]aniline?
The IUPAC name of 3-ethoxy-N-[(4-methoxy-3-methylphenyl)methyl]aniline (CID 60935106) is 3-ethoxy-N-[(4-methoxy-3-methylphenyl)methyl]aniline.
What is the SMILES notation for 3-ethoxy-N-[(4-methoxy-3-methylphenyl)methyl]aniline?
The canonical SMILES for 3-ethoxy-N-[(4-methoxy-3-methylphenyl)methyl]aniline is CCOc1cccc(NCc2ccc(OC)c(C)c2)c1.
What is the InChIKey of 3-ethoxy-N-[(4-methoxy-3-methylphenyl)methyl]aniline?
The InChIKey is YXEKCBPNFBSTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-4-20-16-7-5-6-15(11-16)18-12-14-8-9-17(19-3)13(2)10-14/h5-11,18H,4,12H2,1-3H3.
What are the key properties of 3-ethoxy-N-[(4-methoxy-3-methylphenyl)methyl]aniline?
3-ethoxy-N-[(4-methoxy-3-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 3-ethoxy-N-[(4-methoxy-3-methylphenyl)methyl]aniline is sourced from PubChem (CID 60935106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).