N-[(3-ethoxyphenyl)methyl]-2,4-dimethylaniline

C17H21NO — CID 39357473

IUPACN-[(3-ethoxyphenyl)methyl]-2,4-dimethylaniline
SMILESCCOc1cccc(CNc2ccc(C)cc2C)c1
InChIInChI=1S/C17H21NO/c1-4-19-16-7-5-6-15(11-16)12-18-17-9-8-13(2)10-14(17)3/h5-11,18H,4,12H2,1-3H3
InChIKeyREAWRKDFMZGXKP-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.31
Rot. Bonds5

About N-[(3-ethoxyphenyl)methyl]-2,4-dimethylaniline

N-[(3-ethoxyphenyl)methyl]-2,4-dimethylaniline (PubChem CID 39357473) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[(3-ethoxyphenyl)methyl]-2,4-dimethylaniline.

Molecular Properties

Compound NameN-[(3-ethoxyphenyl)methyl]-2,4-dimethylaniline
PubChem CID39357473
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC NameN-[(3-ethoxyphenyl)methyl]-2,4-dimethylaniline
SMILESCCOc1cccc(CNc2ccc(C)cc2C)c1
InChIInChI=1S/C17H21NO/c1-4-19-16-7-5-6-15(11-16)12-18-17-9-8-13(2)10-14(17)3/h5-11,18H,4,12H2,1-3H3
InChIKeyREAWRKDFMZGXKP-UHFFFAOYSA-N
XLogP4.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethoxy-2-methyl-N-[(3-methylphenyl)methyl]aniline
CID 54865409
4-ethoxy-N-[(3-methoxyphenyl)methyl]-2-methylaniline
CID 60936145
2,4-dimethyl-N-[(3-prop-2-ynoxyphenyl)methyl]aniline
CID 126126586
N-[(3-ethoxyphenyl)methyl]-2,4,6-trimethylaniline
CID 39368420
N-[(3-cyclopropylphenyl)methyl]-4-ethoxy-2-methylaniline
CID 79970343
N-[(3-bromo-4-ethoxyphenyl)methyl]-2,4-dimethylaniline
CID 126120613
N-[(3-ethoxyphenyl)methyl]-2-methylsulfanylaniline
CID 60871982
2,5-dimethyl-N-[[3-(2-methylpropoxy)phenyl]methyl]aniline
CID 39384043
2-chloro-N-[(3-ethoxyphenyl)methyl]-4-fluoroaniline
CID 60873888
N-[(3-butoxyphenyl)methyl]-2-methylaniline
CID 39369088
2-ethoxy-N-[(3-ethoxyphenyl)methyl]pyridin-3-amine
CID 60874271
4-ethoxy-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]aniline
CID 126128892

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxyphenyl)methyl]-2,4-dimethylaniline?
The IUPAC name of N-[(3-ethoxyphenyl)methyl]-2,4-dimethylaniline (CID 39357473) is N-[(3-ethoxyphenyl)methyl]-2,4-dimethylaniline.
What is the SMILES notation for N-[(3-ethoxyphenyl)methyl]-2,4-dimethylaniline?
The canonical SMILES for N-[(3-ethoxyphenyl)methyl]-2,4-dimethylaniline is CCOc1cccc(CNc2ccc(C)cc2C)c1.
What is the InChIKey of N-[(3-ethoxyphenyl)methyl]-2,4-dimethylaniline?
The InChIKey is REAWRKDFMZGXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-4-19-16-7-5-6-15(11-16)12-18-17-9-8-13(2)10-14(17)3/h5-11,18H,4,12H2,1-3H3.
What are the key properties of N-[(3-ethoxyphenyl)methyl]-2,4-dimethylaniline?
N-[(3-ethoxyphenyl)methyl]-2,4-dimethylaniline has a molecular weight of 255.36 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxyphenyl)methyl]-2,4-dimethylaniline is sourced from PubChem (CID 39357473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).