2-[3-chloro-4-(3-chloroprop-2-enoxy)phenyl]ethanamine

C11H13Cl2NO — CID 76914655

IUPAC2-[3-chloro-4-(3-chloroprop-2-enoxy)phenyl]ethanamine
SMILESNCCc1ccc(OCC=CCl)c(Cl)c1
InChIInChI=1S/C11H13Cl2NO/c12-5-1-7-15-11-3-2-9(4-6-14)8-10(11)13/h1-3,5,8H,4,6-7,14H2
InChIKeyMWURHXSVZRJJHF-UHFFFAOYSA-N
MW246.14 g/mol
LogP2.97
Rot. Bonds5

About 2-[3-chloro-4-(3-chloroprop-2-enoxy)phenyl]ethanamine

2-[3-chloro-4-(3-chloroprop-2-enoxy)phenyl]ethanamine (PubChem CID 76914655) has the molecular formula C11H13Cl2NO and a molecular weight of 246.14 g/mol. Its IUPAC name is 2-[3-chloro-4-(3-chloroprop-2-enoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-chloro-4-(3-chloroprop-2-enoxy)phenyl]ethanamine
PubChem CID76914655
Molecular FormulaC11H13Cl2NO
Molecular Weight246.14 g/mol
Exact Mass245.04
IUPAC Name2-[3-chloro-4-(3-chloroprop-2-enoxy)phenyl]ethanamine
SMILESNCCc1ccc(OCC=CCl)c(Cl)c1
InChIInChI=1S/C11H13Cl2NO/c12-5-1-7-15-11-3-2-9(4-6-14)8-10(11)13/h1-3,5,8H,4,6-7,14H2
InChIKeyMWURHXSVZRJJHF-UHFFFAOYSA-N
XLogP2.97
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-bromo-4-(3-chloroprop-2-enoxy)phenyl]methanamine
CID 76985667
2-(3-chloro-4-nonoxyphenyl)ethanamine
CID 63421979
2-[3-chloro-4-(3-methylbut-3-enoxy)phenyl]ethanamine
CID 114476300
2-[2-[(E)-3-chloroprop-2-enoxy]phenyl]ethanamine
CID 60905172
4-chloro-3-[(E)-3-chloroprop-2-enoxy]aniline
CID 107899501
4-chloro-5-[(E)-3-chloroprop-2-enoxy]-2-fluoroaniline
CID 139226452
2-[3-chloro-4-(3,5-dichlorophenoxy)phenyl]ethanamine
CID 81160567
2-[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine
CID 102619496
2-[3-chloro-4-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine
CID 115984038
2-(4-but-3-en-2-yloxy-3-chlorophenyl)ethanamine
CID 62384351
2-[3-chloro-4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine
CID 64773168
2-[4-[(E)-3-(4-chlorophenyl)prop-2-enoxy]-3-methoxyphenyl]ethanamine
CID 18620192

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-4-(3-chloroprop-2-enoxy)phenyl]ethanamine?
The IUPAC name of 2-[3-chloro-4-(3-chloroprop-2-enoxy)phenyl]ethanamine (CID 76914655) is 2-[3-chloro-4-(3-chloroprop-2-enoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[3-chloro-4-(3-chloroprop-2-enoxy)phenyl]ethanamine?
The canonical SMILES for 2-[3-chloro-4-(3-chloroprop-2-enoxy)phenyl]ethanamine is NCCc1ccc(OCC=CCl)c(Cl)c1.
What is the InChIKey of 2-[3-chloro-4-(3-chloroprop-2-enoxy)phenyl]ethanamine?
The InChIKey is MWURHXSVZRJJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO/c12-5-1-7-15-11-3-2-9(4-6-14)8-10(11)13/h1-3,5,8H,4,6-7,14H2.
What are the key properties of 2-[3-chloro-4-(3-chloroprop-2-enoxy)phenyl]ethanamine?
2-[3-chloro-4-(3-chloroprop-2-enoxy)phenyl]ethanamine has a molecular weight of 246.14 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-4-(3-chloroprop-2-enoxy)phenyl]ethanamine is sourced from PubChem (CID 76914655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).