2-amino-3-[3-(3,5-dichlorophenoxy)phenyl]propan-1-ol

C15H15Cl2NO2 — CID 170893180

IUPAC2-amino-3-[3-(3,5-dichlorophenoxy)phenyl]propan-1-ol
SMILESNC(CO)Cc1cccc(Oc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C15H15Cl2NO2/c16-11-6-12(17)8-15(7-11)20-14-3-1-2-10(5-14)4-13(18)9-19/h1-3,5-8,13,19H,4,9,18H2
InChIKeyKRLCJFUTZIWKHW-UHFFFAOYSA-N
MW312.20 g/mol
LogP3.65
Rot. Bonds5

About 2-amino-3-[3-(3,5-dichlorophenoxy)phenyl]propan-1-ol

2-amino-3-[3-(3,5-dichlorophenoxy)phenyl]propan-1-ol (PubChem CID 170893180) has the molecular formula C15H15Cl2NO2 and a molecular weight of 312.20 g/mol. Its IUPAC name is 2-amino-3-[3-(3,5-dichlorophenoxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name2-amino-3-[3-(3,5-dichlorophenoxy)phenyl]propan-1-ol
PubChem CID170893180
Molecular FormulaC15H15Cl2NO2
Molecular Weight312.20 g/mol
Exact Mass311.05
IUPAC Name2-amino-3-[3-(3,5-dichlorophenoxy)phenyl]propan-1-ol
SMILESNC(CO)Cc1cccc(Oc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C15H15Cl2NO2/c16-11-6-12(17)8-15(7-11)20-14-3-1-2-10(5-14)4-13(18)9-19/h1-3,5-8,13,19H,4,9,18H2
InChIKeyKRLCJFUTZIWKHW-UHFFFAOYSA-N
XLogP3.65
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(3,5-dichlorophenoxy)phenyl]butan-2-amine;hydrochloride
CID 170889011
(2S)-2-amino-3-(3-methoxyphenyl)propan-1-ol
CID 28804581
2-[3-(3,5-dichlorophenoxy)phenyl]ethanamine
CID 63942155
[3-(2-amino-3-hydroxypropyl)phenyl] acetate
CID 170892004
(2R)-2-amino-3-phenylpropan-1-ol;2-naphthalen-2-yloxynaphthalene
CID 70294493
2-amino-3-[3-(methoxymethoxy)phenyl]propan-1-ol;hydrochloride
CID 170893627
(2S)-2-amino-3-(3-bromophenyl)propan-1-ol;hydrochloride
CID 178200029
1-[4-(3-chlorophenoxy)phenyl]propan-2-amine
CID 63803972
2-amino-3-[3-chloro-5-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride
CID 170893687
1-[3-(4-chloro-3-fluorophenoxy)phenyl]butan-2-amine
CID 82727397
1-[3-(3,5-dimethoxyphenoxy)phenyl]propan-2-amine
CID 63941754
1-[3-(2-chlorophenoxy)phenyl]butan-2-amine
CID 63941363

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[3-(3,5-dichlorophenoxy)phenyl]propan-1-ol?
The IUPAC name of 2-amino-3-[3-(3,5-dichlorophenoxy)phenyl]propan-1-ol (CID 170893180) is 2-amino-3-[3-(3,5-dichlorophenoxy)phenyl]propan-1-ol.
What is the SMILES notation for 2-amino-3-[3-(3,5-dichlorophenoxy)phenyl]propan-1-ol?
The canonical SMILES for 2-amino-3-[3-(3,5-dichlorophenoxy)phenyl]propan-1-ol is NC(CO)Cc1cccc(Oc2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of 2-amino-3-[3-(3,5-dichlorophenoxy)phenyl]propan-1-ol?
The InChIKey is KRLCJFUTZIWKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO2/c16-11-6-12(17)8-15(7-11)20-14-3-1-2-10(5-14)4-13(18)9-19/h1-3,5-8,13,19H,4,9,18H2.
What are the key properties of 2-amino-3-[3-(3,5-dichlorophenoxy)phenyl]propan-1-ol?
2-amino-3-[3-(3,5-dichlorophenoxy)phenyl]propan-1-ol has a molecular weight of 312.20 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[3-(3,5-dichlorophenoxy)phenyl]propan-1-ol is sourced from PubChem (CID 170893180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).