2-(2-aminoethyl)-N-ethynylaniline

C10H12N2 — CID 142905863

IUPAC2-(2-aminoethyl)-N-ethynylaniline
SMILESC#CNc1ccccc1CCN
InChIInChI=1S/C10H12N2/c1-2-12-10-6-4-3-5-9(10)7-8-11/h1,3-6,12H,7-8,11H2
InChIKeyKYYFXGVHGZTYQW-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.19
Rot. Bonds3

About 2-(2-aminoethyl)-N-ethynylaniline

2-(2-aminoethyl)-N-ethynylaniline (PubChem CID 142905863) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-ethynylaniline.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-ethynylaniline
PubChem CID142905863
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name2-(2-aminoethyl)-N-ethynylaniline
SMILESC#CNc1ccccc1CCN
InChIInChI=1S/C10H12N2/c1-2-12-10-6-4-3-5-9(10)7-8-11/h1,3-6,12H,7-8,11H2
InChIKeyKYYFXGVHGZTYQW-UHFFFAOYSA-N
XLogP1.19
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-butyl-N-ethynylaniline
CID 143963108
2-(2-aminoethyl)-N-cyclopropylaniline
CID 83816645
azane;2-(2-chlorophenyl)ethanamine
CID 70087147
CID 89018260
CID 89018260
3-(2-aminoethyl)-N-methyl-2-phenylaniline
CID 145189923
3-[2-(2-aminoethyl)anilino]propylphosphonic acid
CID 177244552
2-(2-aminoethyl)benzonitrile;hydrochloride
CID 50999321
2-(2-iodophenyl)ethanamine;hydrochloride
CID 20517474
ethane;2-(2-methylphenyl)ethanamine
CID 91237349
2-(2-methanidylphenyl)ethanamine;palladium
CID 175142647
2-(2-aminoethyl)aniline;ethane
CID 90745291
2-[2-(3-chloropropyl)phenyl]ethanamine
CID 67894995

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-ethynylaniline?
The IUPAC name of 2-(2-aminoethyl)-N-ethynylaniline (CID 142905863) is 2-(2-aminoethyl)-N-ethynylaniline.
What is the SMILES notation for 2-(2-aminoethyl)-N-ethynylaniline?
The canonical SMILES for 2-(2-aminoethyl)-N-ethynylaniline is C#CNc1ccccc1CCN.
What is the InChIKey of 2-(2-aminoethyl)-N-ethynylaniline?
The InChIKey is KYYFXGVHGZTYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-2-12-10-6-4-3-5-9(10)7-8-11/h1,3-6,12H,7-8,11H2.
What are the key properties of 2-(2-aminoethyl)-N-ethynylaniline?
2-(2-aminoethyl)-N-ethynylaniline has a molecular weight of 160.22 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-ethynylaniline is sourced from PubChem (CID 142905863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).