N-[1-[5-chloro-2-(2-chloroprop-2-enoxy)phenyl]ethyl]propan-1-amine

C14H19Cl2NO — CID 63500138

IUPACN-[1-[5-chloro-2-(2-chloroprop-2-enoxy)phenyl]ethyl]propan-1-amine
SMILESC=C(Cl)COc1ccc(Cl)cc1C(C)NCCC
InChIInChI=1S/C14H19Cl2NO/c1-4-7-17-11(3)13-8-12(16)5-6-14(13)18-9-10(2)15/h5-6,8,11,17H,2,4,7,9H2,1,3H3
InChIKeyIUJFXDJDUNVUGH-UHFFFAOYSA-N
MW288.22 g/mol
LogP4.53
Rot. Bonds7

About N-[1-[5-chloro-2-(2-chloroprop-2-enoxy)phenyl]ethyl]propan-1-amine

N-[1-[5-chloro-2-(2-chloroprop-2-enoxy)phenyl]ethyl]propan-1-amine (PubChem CID 63500138) has the molecular formula C14H19Cl2NO and a molecular weight of 288.22 g/mol. Its IUPAC name is N-[1-[5-chloro-2-(2-chloroprop-2-enoxy)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[5-chloro-2-(2-chloroprop-2-enoxy)phenyl]ethyl]propan-1-amine
PubChem CID63500138
Molecular FormulaC14H19Cl2NO
Molecular Weight288.22 g/mol
Exact Mass287.08
IUPAC NameN-[1-[5-chloro-2-(2-chloroprop-2-enoxy)phenyl]ethyl]propan-1-amine
SMILESC=C(Cl)COc1ccc(Cl)cc1C(C)NCCC
InChIInChI=1S/C14H19Cl2NO/c1-4-7-17-11(3)13-8-12(16)5-6-14(13)18-9-10(2)15/h5-6,8,11,17H,2,4,7,9H2,1,3H3
InChIKeyIUJFXDJDUNVUGH-UHFFFAOYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-chloro-2-[1-(propylamino)ethyl]phenoxy]acetamide
CID 62074759
N-[1-[2-(2-chloroprop-2-enoxy)phenyl]ethyl]propan-1-amine
CID 60882886
2-[4-chloro-2-[1-(propylamino)ethyl]phenoxy]-N-cyclopropylacetamide
CID 62074242
N-[1-[4-(2-chloroprop-2-enoxy)-2-fluorophenyl]ethyl]propan-1-amine
CID 107717673
N-[1-[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 63500315
N-[1-[5-chloro-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 62074246
N-[1-[5-chloro-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethyl]propan-1-amine
CID 62074068
1-(5-chloro-2-hexoxyphenyl)-N-ethylethanamine
CID 55194219
3-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]propan-1-ol
CID 62073207
1-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]butan-2-ol
CID 62074920
1-[5-chloro-2-(2-ethoxyethoxy)phenyl]-N-ethylethanamine
CID 62074237
2-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]-N-(2-methoxyethyl)acetamide
CID 62072700

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-chloro-2-(2-chloroprop-2-enoxy)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[5-chloro-2-(2-chloroprop-2-enoxy)phenyl]ethyl]propan-1-amine (CID 63500138) is N-[1-[5-chloro-2-(2-chloroprop-2-enoxy)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[5-chloro-2-(2-chloroprop-2-enoxy)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[5-chloro-2-(2-chloroprop-2-enoxy)phenyl]ethyl]propan-1-amine is C=C(Cl)COc1ccc(Cl)cc1C(C)NCCC.
What is the InChIKey of N-[1-[5-chloro-2-(2-chloroprop-2-enoxy)phenyl]ethyl]propan-1-amine?
The InChIKey is IUJFXDJDUNVUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO/c1-4-7-17-11(3)13-8-12(16)5-6-14(13)18-9-10(2)15/h5-6,8,11,17H,2,4,7,9H2,1,3H3.
What are the key properties of N-[1-[5-chloro-2-(2-chloroprop-2-enoxy)phenyl]ethyl]propan-1-amine?
N-[1-[5-chloro-2-(2-chloroprop-2-enoxy)phenyl]ethyl]propan-1-amine has a molecular weight of 288.22 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-chloro-2-(2-chloroprop-2-enoxy)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 63500138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).