N-(2-but-3-enoxyethyl)-4-methylaniline

C13H19NO — CID 62599565

IUPACN-(2-but-3-enoxyethyl)-4-methylaniline
SMILESC=CCCOCCNc1ccc(C)cc1
InChIInChI=1S/C13H19NO/c1-3-4-10-15-11-9-14-13-7-5-12(2)6-8-13/h3,5-8,14H,1,4,9-11H2,2H3
InChIKeyRONLFAYLBZKFKH-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.00
Rot. Bonds7

About N-(2-but-3-enoxyethyl)-4-methylaniline

N-(2-but-3-enoxyethyl)-4-methylaniline (PubChem CID 62599565) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-4-methylaniline.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-4-methylaniline
PubChem CID62599565
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-(2-but-3-enoxyethyl)-4-methylaniline
SMILESC=CCCOCCNc1ccc(C)cc1
InChIInChI=1S/C13H19NO/c1-3-4-10-15-11-9-14-13-7-5-12(2)6-8-13/h3,5-8,14H,1,4,9-11H2,2H3
InChIKeyRONLFAYLBZKFKH-UHFFFAOYSA-N
XLogP3.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-ethoxyethoxy)ethyl]-4-methylaniline
CID 23009145
4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline
CID 61492510
4-methyl-N-(2-pentoxyethyl)aniline
CID 62584140
4-methyl-N-(2-octoxyethyl)aniline
CID 55196858
4-N-(2-but-3-enoxyethyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 106394354
2-(4-methylanilino)ethyl prop-2-enoate
CID 155280082
2-amino-N-(2-but-3-enoxyethyl)-2-(4-methylphenyl)acetamide
CID 106398332
4-methyl-N-[2-(4-methylphenoxy)ethyl]aniline
CID 4072797
2-[2-[2-[4-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]phenyl]anilino]ethoxy]ethoxy]ethanol
CID 10433809
N-(2-but-3-enoxyethyl)-4-methyl-1,3-thiazol-2-amine
CID 106404911
2-(4-methylanilino)ethyl 2-methylprop-2-enoate
CID 59166790
N-(3-ethoxypropyl)-4-methylaniline
CID 65176643

Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)-4-methylaniline?
The IUPAC name of N-(2-but-3-enoxyethyl)-4-methylaniline (CID 62599565) is N-(2-but-3-enoxyethyl)-4-methylaniline.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-4-methylaniline?
The canonical SMILES for N-(2-but-3-enoxyethyl)-4-methylaniline is C=CCCOCCNc1ccc(C)cc1.
What is the InChIKey of N-(2-but-3-enoxyethyl)-4-methylaniline?
The InChIKey is RONLFAYLBZKFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-3-4-10-15-11-9-14-13-7-5-12(2)6-8-13/h3,5-8,14H,1,4,9-11H2,2H3.
What are the key properties of N-(2-but-3-enoxyethyl)-4-methylaniline?
N-(2-but-3-enoxyethyl)-4-methylaniline has a molecular weight of 205.30 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-enoxyethyl)-4-methylaniline is sourced from PubChem (CID 62599565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).