1-[3-chloro-4-(2-ethoxyphenoxy)phenyl]propan-2-amine

C17H20ClNO2 — CID 81159950

IUPAC1-[3-chloro-4-(2-ethoxyphenoxy)phenyl]propan-2-amine
SMILESCCOc1ccccc1Oc1ccc(CC(C)N)cc1Cl
InChIInChI=1S/C17H20ClNO2/c1-3-20-16-6-4-5-7-17(16)21-15-9-8-13(10-12(2)19)11-14(15)18/h4-9,11-12H,3,10,19H2,1-2H3
InChIKeyHLFPPICTMOYARE-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.42
Rot. Bonds6

About 1-[3-chloro-4-(2-ethoxyphenoxy)phenyl]propan-2-amine

1-[3-chloro-4-(2-ethoxyphenoxy)phenyl]propan-2-amine (PubChem CID 81159950) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 1-[3-chloro-4-(2-ethoxyphenoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-chloro-4-(2-ethoxyphenoxy)phenyl]propan-2-amine
PubChem CID81159950
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name1-[3-chloro-4-(2-ethoxyphenoxy)phenyl]propan-2-amine
SMILESCCOc1ccccc1Oc1ccc(CC(C)N)cc1Cl
InChIInChI=1S/C17H20ClNO2/c1-3-20-16-6-4-5-7-17(16)21-15-9-8-13(10-12(2)19)11-14(15)18/h4-9,11-12H,3,10,19H2,1-2H3
InChIKeyHLFPPICTMOYARE-UHFFFAOYSA-N
XLogP4.42
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-chloro-4-(3-ethoxypropoxy)phenyl]propan-2-amine
CID 65180611
1-[4-chloro-2-(2-ethoxyphenoxy)phenyl]propan-2-amine
CID 114862777
1-(3-ethoxy-4-pentoxyphenyl)propan-2-amine
CID 54929069
1-(3-ethoxy-4-hexoxyphenyl)propan-2-amine
CID 60906663
1-[3-ethoxy-4-(3-ethoxypropoxy)phenyl]propan-2-amine
CID 65181053
1-[4-(2-bromophenoxy)-3-chlorophenyl]butan-2-amine
CID 81165959
1-[3-chloro-4-(2-ethylphenoxy)phenyl]butan-2-amine
CID 81160068
1-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]propan-2-amine
CID 81160569
1-[3-chloro-4-(3,4-dimethylphenoxy)phenyl]propan-2-amine
CID 81166108
1-[3-ethoxy-4-(2-methylbutoxy)phenyl]propan-2-amine
CID 62105521
1-[3-methyl-4-(2,4,5-trichlorophenoxy)phenyl]propan-2-amine
CID 63816275
2-[3-chloro-4-(2-propoxyphenoxy)phenyl]ethanamine
CID 81159937

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(2-ethoxyphenoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[3-chloro-4-(2-ethoxyphenoxy)phenyl]propan-2-amine (CID 81159950) is 1-[3-chloro-4-(2-ethoxyphenoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-chloro-4-(2-ethoxyphenoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[3-chloro-4-(2-ethoxyphenoxy)phenyl]propan-2-amine is CCOc1ccccc1Oc1ccc(CC(C)N)cc1Cl.
What is the InChIKey of 1-[3-chloro-4-(2-ethoxyphenoxy)phenyl]propan-2-amine?
The InChIKey is HLFPPICTMOYARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-3-20-16-6-4-5-7-17(16)21-15-9-8-13(10-12(2)19)11-14(15)18/h4-9,11-12H,3,10,19H2,1-2H3.
What are the key properties of 1-[3-chloro-4-(2-ethoxyphenoxy)phenyl]propan-2-amine?
1-[3-chloro-4-(2-ethoxyphenoxy)phenyl]propan-2-amine has a molecular weight of 305.81 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(2-ethoxyphenoxy)phenyl]propan-2-amine is sourced from PubChem (CID 81159950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).