N-[[(E)-2-ethoxyethenoxy]methyl]-3-methylaniline

C12H17NO2 — CID 21056799

IUPACN-[[(E)-2-ethoxyethenoxy]methyl]-3-methylaniline
SMILESCCO/C=C/OCNc1cccc(C)c1
InChIInChI=1S/C12H17NO2/c1-3-14-7-8-15-10-13-12-6-4-5-11(2)9-12/h4-9,13H,3,10H2,1-2H3/b8-7+
InChIKeyQZCSWHJMLNXROE-BQYQJAHWSA-N
MW207.27 g/mol
LogP2.89
Rot. Bonds6

About N-[[(E)-2-ethoxyethenoxy]methyl]-3-methylaniline

N-[[(E)-2-ethoxyethenoxy]methyl]-3-methylaniline (PubChem CID 21056799) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is N-[[(E)-2-ethoxyethenoxy]methyl]-3-methylaniline.

Molecular Properties

Compound NameN-[[(E)-2-ethoxyethenoxy]methyl]-3-methylaniline
PubChem CID21056799
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameN-[[(E)-2-ethoxyethenoxy]methyl]-3-methylaniline
SMILESCCO/C=C/OCNc1cccc(C)c1
InChIInChI=1S/C12H17NO2/c1-3-14-7-8-15-10-13-12-6-4-5-11(2)9-12/h4-9,13H,3,10H2,1-2H3/b8-7+
InChIKeyQZCSWHJMLNXROE-BQYQJAHWSA-N
XLogP2.89
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(2-methoxyphenoxy)methyl]-3-methylaniline
CID 20614867
N-[2-(2-ethoxyethoxy)ethyl]-3-methylaniline
CID 23009144
N-[(3-methoxyphenoxy)methyl]-3-methylaniline
CID 20614875
3-methyl-N-(2-methylbutyl)aniline
CID 43103774
N-(ethylselanylmethyl)-3-methylaniline
CID 10633082
N-(cyclopropylmethyl)-3-methylaniline
CID 43560243
N-ethyl-3-methylaniline;sulfuric acid
CID 161001051
N-[(2-ethylphenyl)methyl]-3-methylaniline
CID 21444100
N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-3-methylaniline
CID 43755589
N-(3,4-dimethylphenyl)-N'-(3-methylphenyl)ethane-1,2-diamine
CID 54806214
N-(cyclobutylmethyl)-3-methylaniline
CID 65459852
3-methyl-N-(2-methylpentyl)aniline
CID 43103474

Frequently Asked Questions

What is the IUPAC name of N-[[(E)-2-ethoxyethenoxy]methyl]-3-methylaniline?
The IUPAC name of N-[[(E)-2-ethoxyethenoxy]methyl]-3-methylaniline (CID 21056799) is N-[[(E)-2-ethoxyethenoxy]methyl]-3-methylaniline.
What is the SMILES notation for N-[[(E)-2-ethoxyethenoxy]methyl]-3-methylaniline?
The canonical SMILES for N-[[(E)-2-ethoxyethenoxy]methyl]-3-methylaniline is CCO/C=C/OCNc1cccc(C)c1.
What is the InChIKey of N-[[(E)-2-ethoxyethenoxy]methyl]-3-methylaniline?
The InChIKey is QZCSWHJMLNXROE-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-14-7-8-15-10-13-12-6-4-5-11(2)9-12/h4-9,13H,3,10H2,1-2H3/b8-7+.
What are the key properties of N-[[(E)-2-ethoxyethenoxy]methyl]-3-methylaniline?
N-[[(E)-2-ethoxyethenoxy]methyl]-3-methylaniline has a molecular weight of 207.27 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(E)-2-ethoxyethenoxy]methyl]-3-methylaniline is sourced from PubChem (CID 21056799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).