N-ethoxy-3-phenylprop-2-yn-1-amine

C11H13NO — CID 64975006

IUPACN-ethoxy-3-phenylprop-2-yn-1-amine
SMILESCCONCC#Cc1ccccc1
InChIInChI=1S/C11H13NO/c1-2-13-12-10-6-9-11-7-4-3-5-8-11/h3-5,7-8,12H,2,10H2,1H3
InChIKeyZDJUYJDFLNDYIT-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.58
Rot. Bonds3

About N-ethoxy-3-phenylprop-2-yn-1-amine

N-ethoxy-3-phenylprop-2-yn-1-amine (PubChem CID 64975006) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is N-ethoxy-3-phenylprop-2-yn-1-amine.

Molecular Properties

Compound NameN-ethoxy-3-phenylprop-2-yn-1-amine
PubChem CID64975006
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC NameN-ethoxy-3-phenylprop-2-yn-1-amine
SMILESCCONCC#Cc1ccccc1
InChIInChI=1S/C11H13NO/c1-2-13-12-10-6-9-11-7-4-3-5-8-11/h3-5,7-8,12H,2,10H2,1H3
InChIKeyZDJUYJDFLNDYIT-UHFFFAOYSA-N
XLogP1.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-phenyl-N-propylprop-2-yn-1-amine
CID 4717506
ethyl 2-(3-phenylprop-2-ynylamino)propanoate
CID 62340198
N-[(4-ethylcyclohexyl)methyl]-3-phenylprop-2-yn-1-amine
CID 62338995
1-phenyl-N-(3-phenylprop-2-ynyl)propan-1-amine
CID 55060425
N-(3-phenylprop-2-ynyl)pent-2-en-1-amine
CID 146019761
N-(3-phenylprop-2-ynyl)-4-propan-2-yloxyaniline
CID 62340189
N-ethoxy-4-(2-phenylethynyl)benzamide
CID 18169125
N-(3-phenylprop-2-ynyl)naphthalen-1-amine
CID 62340347
1-N,1-N-dimethyl-2-N-(3-phenylprop-2-ynyl)propane-1,2-diamine
CID 82939226
diethoxy(4-phenylbut-3-ynyl)silane
CID 123394043
3-(2-methylpropoxy)prop-1-ynylbenzene
CID 130395196
but-1-ynylbenzene;2-methylprop-1-ene
CID 164573656

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-3-phenylprop-2-yn-1-amine?
The IUPAC name of N-ethoxy-3-phenylprop-2-yn-1-amine (CID 64975006) is N-ethoxy-3-phenylprop-2-yn-1-amine.
What is the SMILES notation for N-ethoxy-3-phenylprop-2-yn-1-amine?
The canonical SMILES for N-ethoxy-3-phenylprop-2-yn-1-amine is CCONCC#Cc1ccccc1.
What is the InChIKey of N-ethoxy-3-phenylprop-2-yn-1-amine?
The InChIKey is ZDJUYJDFLNDYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-2-13-12-10-6-9-11-7-4-3-5-8-11/h3-5,7-8,12H,2,10H2,1H3.
What are the key properties of N-ethoxy-3-phenylprop-2-yn-1-amine?
N-ethoxy-3-phenylprop-2-yn-1-amine has a molecular weight of 175.23 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-3-phenylprop-2-yn-1-amine is sourced from PubChem (CID 64975006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).