1-(4-chlorophenoxy)-3-(2-chlorophenyl)propan-2-amine

C15H15Cl2NO — CID 105096248

IUPAC1-(4-chlorophenoxy)-3-(2-chlorophenyl)propan-2-amine
SMILESNC(COc1ccc(Cl)cc1)Cc1ccccc1Cl
InChIInChI=1S/C15H15Cl2NO/c16-12-5-7-14(8-6-12)19-10-13(18)9-11-3-1-2-4-15(11)17/h1-8,13H,9-10,18H2
InChIKeyRQXVZGQQJKUIRU-UHFFFAOYSA-N
MW296.20 g/mol
LogP3.94
Rot. Bonds5

About 1-(4-chlorophenoxy)-3-(2-chlorophenyl)propan-2-amine

1-(4-chlorophenoxy)-3-(2-chlorophenyl)propan-2-amine (PubChem CID 105096248) has the molecular formula C15H15Cl2NO and a molecular weight of 296.20 g/mol. Its IUPAC name is 1-(4-chlorophenoxy)-3-(2-chlorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenoxy)-3-(2-chlorophenyl)propan-2-amine
PubChem CID105096248
Molecular FormulaC15H15Cl2NO
Molecular Weight296.20 g/mol
Exact Mass295.05
IUPAC Name1-(4-chlorophenoxy)-3-(2-chlorophenyl)propan-2-amine
SMILESNC(COc1ccc(Cl)cc1)Cc1ccccc1Cl
InChIInChI=1S/C15H15Cl2NO/c16-12-5-7-14(8-6-12)19-10-13(18)9-11-3-1-2-4-15(11)17/h1-8,13H,9-10,18H2
InChIKeyRQXVZGQQJKUIRU-UHFFFAOYSA-N
XLogP3.94
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenoxy)-3-(2-fluorophenyl)propan-2-amine
CID 105090089
1-(2-chloro-4-methylphenyl)-3-(4-chlorophenoxy)propan-2-amine
CID 106867316
1-(4-chlorophenoxy)-3-(2-chlorophenyl)-N-methylpropan-2-amine
CID 105096561
1-(5-bromo-2-fluorophenyl)-3-(4-chlorophenoxy)propan-2-amine
CID 105131753
1-(4-chlorophenoxy)-3-(4-ethylphenyl)propan-2-amine
CID 105101373
1-(1,3-benzothiazol-2-yl)-3-(4-chlorophenoxy)propan-2-amine
CID 105169677
1-(4-chlorophenoxy)-3-[(2-chlorophenyl)methylamino]propan-2-ol
CID 60635463
3-(4-chlorophenoxy)-1-N,1-N-dimethylpropane-1,2-diamine
CID 116820989
3-amino-4-(4-chlorophenoxy)butanenitrile
CID 82126783
1-(3-chloro-2-fluorophenyl)-3-(4-chlorophenoxy)propan-2-ol
CID 102867534
(2S)-1-(2-chlorophenyl)pentan-2-amine
CID 104932386
1,4-bis[(2-chlorophenyl)methoxy]benzene
CID 18515510

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenoxy)-3-(2-chlorophenyl)propan-2-amine?
The IUPAC name of 1-(4-chlorophenoxy)-3-(2-chlorophenyl)propan-2-amine (CID 105096248) is 1-(4-chlorophenoxy)-3-(2-chlorophenyl)propan-2-amine.
What is the SMILES notation for 1-(4-chlorophenoxy)-3-(2-chlorophenyl)propan-2-amine?
The canonical SMILES for 1-(4-chlorophenoxy)-3-(2-chlorophenyl)propan-2-amine is NC(COc1ccc(Cl)cc1)Cc1ccccc1Cl.
What is the InChIKey of 1-(4-chlorophenoxy)-3-(2-chlorophenyl)propan-2-amine?
The InChIKey is RQXVZGQQJKUIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO/c16-12-5-7-14(8-6-12)19-10-13(18)9-11-3-1-2-4-15(11)17/h1-8,13H,9-10,18H2.
What are the key properties of 1-(4-chlorophenoxy)-3-(2-chlorophenyl)propan-2-amine?
1-(4-chlorophenoxy)-3-(2-chlorophenyl)propan-2-amine has a molecular weight of 296.20 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenoxy)-3-(2-chlorophenyl)propan-2-amine is sourced from PubChem (CID 105096248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).