1-chloro-1-[2-(4-chlorophenyl)ethylamino]propan-2-ol

C11H15Cl2NO — CID 141296655

IUPAC1-chloro-1-[2-(4-chlorophenyl)ethylamino]propan-2-ol
SMILESCC(O)C(Cl)NCCc1ccc(Cl)cc1
InChIInChI=1S/C11H15Cl2NO/c1-8(15)11(13)14-7-6-9-2-4-10(12)5-3-9/h2-5,8,11,14-15H,6-7H2,1H3
InChIKeyAHLCRKLMKNQHHJ-UHFFFAOYSA-N
MW248.15 g/mol
LogP2.42
Rot. Bonds5

About 1-chloro-1-[2-(4-chlorophenyl)ethylamino]propan-2-ol

1-chloro-1-[2-(4-chlorophenyl)ethylamino]propan-2-ol (PubChem CID 141296655) has the molecular formula C11H15Cl2NO and a molecular weight of 248.15 g/mol. Its IUPAC name is 1-chloro-1-[2-(4-chlorophenyl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-chloro-1-[2-(4-chlorophenyl)ethylamino]propan-2-ol
PubChem CID141296655
Molecular FormulaC11H15Cl2NO
Molecular Weight248.15 g/mol
Exact Mass247.05
IUPAC Name1-chloro-1-[2-(4-chlorophenyl)ethylamino]propan-2-ol
SMILESCC(O)C(Cl)NCCc1ccc(Cl)cc1
InChIInChI=1S/C11H15Cl2NO/c1-8(15)11(13)14-7-6-9-2-4-10(12)5-3-9/h2-5,8,11,14-15H,6-7H2,1H3
InChIKeyAHLCRKLMKNQHHJ-UHFFFAOYSA-N
XLogP2.42
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.15
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-[2-(4-chlorophenyl)ethylamino]-2-methylpropan-1-ol
CID 121016044
3-[1-[2-(4-chlorophenyl)ethylamino]ethyl]phenol
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1-bromo-2-(4-chlorophenyl)-N-[2-(4-chlorophenyl)ethyl]ethanamine;2-(4-chlorophenyl)ethanol;propan-2-ol
CID 67017125
2-[2-(4-chlorophenyl)ethylamino]-N-propan-2-ylpropanamide
CID 60654107
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(2S)-3-chloro-4-(4-chlorophenyl)butan-2-ol
CID 131029128
N-[2-(4-chlorophenyl)ethyl]-5,5-dimethylhexan-2-amine
CID 114279894
(2S)-2-[2-(4-chlorophenyl)ethylamino]-3-hydroxypropanamide;hydrochloride
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N-[2-(4-chlorophenyl)ethyl]-1-(2-fluorophenyl)ethanamine
CID 43100538
(2R)-2-amino-N-[2-(4-chlorophenyl)ethyl]propanamide
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2-[2-(4-chlorophenyl)ethylcarbamoylamino]-3-hydroxybutanoic acid
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2-[[2-(4-chlorophenyl)ethylamino]methyl]-3-methylbutanoic acid
CID 115250406

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-[2-(4-chlorophenyl)ethylamino]propan-2-ol?
The IUPAC name of 1-chloro-1-[2-(4-chlorophenyl)ethylamino]propan-2-ol (CID 141296655) is 1-chloro-1-[2-(4-chlorophenyl)ethylamino]propan-2-ol.
What is the SMILES notation for 1-chloro-1-[2-(4-chlorophenyl)ethylamino]propan-2-ol?
The canonical SMILES for 1-chloro-1-[2-(4-chlorophenyl)ethylamino]propan-2-ol is CC(O)C(Cl)NCCc1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-1-[2-(4-chlorophenyl)ethylamino]propan-2-ol?
The InChIKey is AHLCRKLMKNQHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO/c1-8(15)11(13)14-7-6-9-2-4-10(12)5-3-9/h2-5,8,11,14-15H,6-7H2,1H3.
What are the key properties of 1-chloro-1-[2-(4-chlorophenyl)ethylamino]propan-2-ol?
1-chloro-1-[2-(4-chlorophenyl)ethylamino]propan-2-ol has a molecular weight of 248.15 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-[2-(4-chlorophenyl)ethylamino]propan-2-ol is sourced from PubChem (CID 141296655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).