N-[2-(2,4-dichlorophenoxy)ethyl]prop-2-yn-1-amine

C11H11Cl2NO — CID 60695100

IUPACN-[2-(2,4-dichlorophenoxy)ethyl]prop-2-yn-1-amine
SMILESC#CCNCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H11Cl2NO/c1-2-5-14-6-7-15-11-4-3-9(12)8-10(11)13/h1,3-4,8,14H,5-7H2
InChIKeyMOUZQRNNEIIXTD-UHFFFAOYSA-N
MW244.12 g/mol
LogP2.60
Rot. Bonds5

About N-[2-(2,4-dichlorophenoxy)ethyl]prop-2-yn-1-amine

N-[2-(2,4-dichlorophenoxy)ethyl]prop-2-yn-1-amine (PubChem CID 60695100) has the molecular formula C11H11Cl2NO and a molecular weight of 244.12 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenoxy)ethyl]prop-2-yn-1-amine.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenoxy)ethyl]prop-2-yn-1-amine
PubChem CID60695100
Molecular FormulaC11H11Cl2NO
Molecular Weight244.12 g/mol
Exact Mass243.02
IUPAC NameN-[2-(2,4-dichlorophenoxy)ethyl]prop-2-yn-1-amine
SMILESC#CCNCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H11Cl2NO/c1-2-5-14-6-7-15-11-4-3-9(12)8-10(11)13/h1,3-4,8,14H,5-7H2
InChIKeyMOUZQRNNEIIXTD-UHFFFAOYSA-N
XLogP2.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.12
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-chloro-4-phenylphenoxy)ethyl]prop-2-yn-1-amine
CID 62571020
N-[2-(2,4-dibromophenoxy)ethyl]prop-2-yn-1-amine
CID 62597194
2-butoxy-N-[2-(2,4-dichlorophenoxy)ethyl]ethanamine
CID 62571535
4-(2,4-dichlorophenoxy)-N-prop-2-ynylbutanamide
CID 30600735
2,4-dichloro-1-oct-7-ynoxybenzene
CID 126538407
N-[2-(4-chloro-3-fluorophenoxy)ethyl]prop-2-yn-1-amine
CID 82727082
N-[2-(4-bromo-2-fluorophenoxy)ethyl]prop-2-yn-1-amine
CID 62598204
N-[2-(2,4-dichlorophenoxy)ethyl]-3-methylbutan-2-amine
CID 60690280
3-chloro-N-[2-(2,4-dichlorophenoxy)ethyl]-4-methoxyaniline
CID 54798735
N-[2-(2-methylphenoxy)ethyl]prop-2-yn-1-amine
CID 60695074
3-(2,4-dichlorophenoxy)-N,N-dimethylpropan-1-amine
CID 5262075
N-[3-(2,4-dichlorophenoxy)propyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119754516

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenoxy)ethyl]prop-2-yn-1-amine?
The IUPAC name of N-[2-(2,4-dichlorophenoxy)ethyl]prop-2-yn-1-amine (CID 60695100) is N-[2-(2,4-dichlorophenoxy)ethyl]prop-2-yn-1-amine.
What is the SMILES notation for N-[2-(2,4-dichlorophenoxy)ethyl]prop-2-yn-1-amine?
The canonical SMILES for N-[2-(2,4-dichlorophenoxy)ethyl]prop-2-yn-1-amine is C#CCNCCOc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-(2,4-dichlorophenoxy)ethyl]prop-2-yn-1-amine?
The InChIKey is MOUZQRNNEIIXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO/c1-2-5-14-6-7-15-11-4-3-9(12)8-10(11)13/h1,3-4,8,14H,5-7H2.
What are the key properties of N-[2-(2,4-dichlorophenoxy)ethyl]prop-2-yn-1-amine?
N-[2-(2,4-dichlorophenoxy)ethyl]prop-2-yn-1-amine has a molecular weight of 244.12 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenoxy)ethyl]prop-2-yn-1-amine is sourced from PubChem (CID 60695100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).