2-(2-methoxyethyl)-N-pent-1-yn-3-ylaniline

C14H19NO — CID 102904964

IUPAC2-(2-methoxyethyl)-N-pent-1-yn-3-ylaniline
SMILESC#CC(CC)Nc1ccccc1CCOC
InChIInChI=1S/C14H19NO/c1-4-13(5-2)15-14-9-7-6-8-12(14)10-11-16-3/h1,6-9,13,15H,5,10-11H2,2-3H3
InChIKeyCRSRRGJSMMDEMW-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.70
Rot. Bonds6

About 2-(2-methoxyethyl)-N-pent-1-yn-3-ylaniline

2-(2-methoxyethyl)-N-pent-1-yn-3-ylaniline (PubChem CID 102904964) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-N-pent-1-yn-3-ylaniline.

Molecular Properties

Compound Name2-(2-methoxyethyl)-N-pent-1-yn-3-ylaniline
PubChem CID102904964
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name2-(2-methoxyethyl)-N-pent-1-yn-3-ylaniline
SMILESC#CC(CC)Nc1ccccc1CCOC
InChIInChI=1S/C14H19NO/c1-4-13(5-2)15-14-9-7-6-8-12(14)10-11-16-3/h1,6-9,13,15H,5,10-11H2,2-3H3
InChIKeyCRSRRGJSMMDEMW-UHFFFAOYSA-N
XLogP2.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethyl)-N-(3-methylpentan-2-yl)aniline
CID 102848997
2-(2-methoxyethyl)-N-propan-2-ylaniline
CID 102847364
N-(4-methoxybutan-2-yl)-2-(2-methoxyethyl)aniline
CID 102849074
N-but-3-en-2-yl-2-(2-methoxyethyl)aniline
CID 107908300
N-(2,2-dimethoxyethyl)-2-(2-methoxyethyl)aniline
CID 102903791
3-methoxy-2-[2-(2-methoxyethyl)anilino]propanoic acid
CID 103268791
methyl 3-[2-(2-methoxyethyl)anilino]-2-methylbutanoate
CID 102905002
4-[1-[2-(2-methoxyethyl)anilino]ethyl]phenol
CID 102903882
N-[2-(2-methoxyethyl)phenyl]-2-methylpropanamide
CID 18982774
2-(2-methoxyethyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]aniline
CID 102848915
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

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-N-pent-1-yn-3-ylaniline?
The IUPAC name of 2-(2-methoxyethyl)-N-pent-1-yn-3-ylaniline (CID 102904964) is 2-(2-methoxyethyl)-N-pent-1-yn-3-ylaniline.
What is the SMILES notation for 2-(2-methoxyethyl)-N-pent-1-yn-3-ylaniline?
The canonical SMILES for 2-(2-methoxyethyl)-N-pent-1-yn-3-ylaniline is C#CC(CC)Nc1ccccc1CCOC.
What is the InChIKey of 2-(2-methoxyethyl)-N-pent-1-yn-3-ylaniline?
The InChIKey is CRSRRGJSMMDEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-4-13(5-2)15-14-9-7-6-8-12(14)10-11-16-3/h1,6-9,13,15H,5,10-11H2,2-3H3.
What are the key properties of 2-(2-methoxyethyl)-N-pent-1-yn-3-ylaniline?
2-(2-methoxyethyl)-N-pent-1-yn-3-ylaniline has a molecular weight of 217.31 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-N-pent-1-yn-3-ylaniline is sourced from PubChem (CID 102904964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).