N-but-3-en-2-yl-2-(2-methoxyethyl)aniline

C13H19NO — CID 107908300

IUPACN-but-3-en-2-yl-2-(2-methoxyethyl)aniline
SMILESC=CC(C)Nc1ccccc1CCOC
InChIInChI=1S/C13H19NO/c1-4-11(2)14-13-8-6-5-7-12(13)9-10-15-3/h4-8,11,14H,1,9-10H2,2-3H3
InChIKeyZAGFDRKHZVNITI-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.86
Rot. Bonds6

About N-but-3-en-2-yl-2-(2-methoxyethyl)aniline

N-but-3-en-2-yl-2-(2-methoxyethyl)aniline (PubChem CID 107908300) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-but-3-en-2-yl-2-(2-methoxyethyl)aniline.

Molecular Properties

Compound NameN-but-3-en-2-yl-2-(2-methoxyethyl)aniline
PubChem CID107908300
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-but-3-en-2-yl-2-(2-methoxyethyl)aniline
SMILESC=CC(C)Nc1ccccc1CCOC
InChIInChI=1S/C13H19NO/c1-4-11(2)14-13-8-6-5-7-12(13)9-10-15-3/h4-8,11,14H,1,9-10H2,2-3H3
InChIKeyZAGFDRKHZVNITI-UHFFFAOYSA-N
XLogP2.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethyl)-N-propan-2-ylaniline
CID 102847364
N-(4-methoxybutan-2-yl)-2-(2-methoxyethyl)aniline
CID 102849074
2-(2-methoxyethyl)-N-(3-methylpentan-2-yl)aniline
CID 102848997
methyl 3-[2-(2-methoxyethyl)anilino]-2-methylbutanoate
CID 102905002
4-[1-[2-(2-methoxyethyl)anilino]ethyl]phenol
CID 102903882
N-(2,2-dimethoxyethyl)-2-(2-methoxyethyl)aniline
CID 102903791
N-[2-(2-methoxyethyl)phenyl]-2-methylpropanamide
CID 18982774
3-methoxy-2-[2-(2-methoxyethyl)anilino]propanoic acid
CID 103268791
2-(2-methoxyethyl)-N-pent-1-yn-3-ylaniline
CID 102904964
N-[1-(5-bromofuran-2-yl)ethyl]-2-(2-methoxyethyl)aniline
CID 102903779
2-(2-methoxyethyl)-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
CID 102848964
(2R)-2-amino-N-[2-(2-methoxyethyl)phenyl]-3-methylbutanamide
CID 102905806

Frequently Asked Questions

What is the IUPAC name of N-but-3-en-2-yl-2-(2-methoxyethyl)aniline?
The IUPAC name of N-but-3-en-2-yl-2-(2-methoxyethyl)aniline (CID 107908300) is N-but-3-en-2-yl-2-(2-methoxyethyl)aniline.
What is the SMILES notation for N-but-3-en-2-yl-2-(2-methoxyethyl)aniline?
The canonical SMILES for N-but-3-en-2-yl-2-(2-methoxyethyl)aniline is C=CC(C)Nc1ccccc1CCOC.
What is the InChIKey of N-but-3-en-2-yl-2-(2-methoxyethyl)aniline?
The InChIKey is ZAGFDRKHZVNITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-4-11(2)14-13-8-6-5-7-12(13)9-10-15-3/h4-8,11,14H,1,9-10H2,2-3H3.
What are the key properties of N-but-3-en-2-yl-2-(2-methoxyethyl)aniline?
N-but-3-en-2-yl-2-(2-methoxyethyl)aniline has a molecular weight of 205.30 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-en-2-yl-2-(2-methoxyethyl)aniline is sourced from PubChem (CID 107908300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).