1-(3,5-dichloro-2-propoxyphenyl)ethanamine

C11H15Cl2NO — CID 82267105

IUPAC1-(3,5-dichloro-2-propoxyphenyl)ethanamine
SMILESCCCOc1c(Cl)cc(Cl)cc1C(C)N
InChIInChI=1S/C11H15Cl2NO/c1-3-4-15-11-9(7(2)14)5-8(12)6-10(11)13/h5-7H,3-4,14H2,1-2H3
InChIKeyWPPGDBBLHHRAOY-UHFFFAOYSA-N
MW248.15 g/mol
LogP3.80
Rot. Bonds4

About 1-(3,5-dichloro-2-propoxyphenyl)ethanamine

1-(3,5-dichloro-2-propoxyphenyl)ethanamine (PubChem CID 82267105) has the molecular formula C11H15Cl2NO and a molecular weight of 248.15 g/mol. Its IUPAC name is 1-(3,5-dichloro-2-propoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(3,5-dichloro-2-propoxyphenyl)ethanamine
PubChem CID82267105
Molecular FormulaC11H15Cl2NO
Molecular Weight248.15 g/mol
Exact Mass247.05
IUPAC Name1-(3,5-dichloro-2-propoxyphenyl)ethanamine
SMILESCCCOc1c(Cl)cc(Cl)cc1C(C)N
InChIInChI=1S/C11H15Cl2NO/c1-3-4-15-11-9(7(2)14)5-8(12)6-10(11)13/h5-7H,3-4,14H2,1-2H3
InChIKeyWPPGDBBLHHRAOY-UHFFFAOYSA-N
XLogP3.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.15
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,5-dichloro-2-propoxyphenyl)pentan-1-amine
CID 83941338
4-(3,5-dichloro-2-propoxyphenyl)heptan-1-amine
CID 83941299
2-[2-(3,5-dichloro-2-propoxyphenyl)propyl]-3-ethyloxirane
CID 83941372
4-amino-1-(3,5-dichloro-2-propoxyphenyl)pentan-3-ol
CID 83941378
1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)ethanamine
CID 82265941
1,5-dichloro-3-ethoxy-2-propoxybenzene
CID 125116590
3,5-dichloro-2-propoxyphenol
CID 82267104
1-(4-chloro-2,5-dipropoxyphenyl)ethanamine
CID 82551629
4-[2-(3,5-dichloro-2-propoxyphenyl)propyl]-2H-triazole
CID 112719483
6-(3,5-dichloro-2-propoxyphenyl)hexan-3-amine
CID 83941333
1-(3,5-dichloro-2-octoxyphenyl)propan-2-amine
CID 63421710
1,3,5-trichloro-2-(3-methylbutoxy)benzene
CID 91691972

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-2-propoxyphenyl)ethanamine?
The IUPAC name of 1-(3,5-dichloro-2-propoxyphenyl)ethanamine (CID 82267105) is 1-(3,5-dichloro-2-propoxyphenyl)ethanamine.
What is the SMILES notation for 1-(3,5-dichloro-2-propoxyphenyl)ethanamine?
The canonical SMILES for 1-(3,5-dichloro-2-propoxyphenyl)ethanamine is CCCOc1c(Cl)cc(Cl)cc1C(C)N.
What is the InChIKey of 1-(3,5-dichloro-2-propoxyphenyl)ethanamine?
The InChIKey is WPPGDBBLHHRAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO/c1-3-4-15-11-9(7(2)14)5-8(12)6-10(11)13/h5-7H,3-4,14H2,1-2H3.
What are the key properties of 1-(3,5-dichloro-2-propoxyphenyl)ethanamine?
1-(3,5-dichloro-2-propoxyphenyl)ethanamine has a molecular weight of 248.15 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-2-propoxyphenyl)ethanamine is sourced from PubChem (CID 82267105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).