2-(butylamino)-1,1-bis(4-chlorophenyl)ethanol

C18H21Cl2NO — CID 3257554

IUPAC2-(butylamino)-1,1-bis(4-chlorophenyl)ethanol
SMILESCCCCNCC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H21Cl2NO/c1-2-3-12-21-13-18(22,14-4-8-16(19)9-5-14)15-6-10-17(20)11-7-15/h4-11,21-22H,2-3,12-13H2,1H3
InChIKeyMNENUMVAFKDMEM-UHFFFAOYSA-N
MW338.28 g/mol
LogP4.62
Rot. Bonds7

About 2-(butylamino)-1,1-bis(4-chlorophenyl)ethanol

2-(butylamino)-1,1-bis(4-chlorophenyl)ethanol (PubChem CID 3257554) has the molecular formula C18H21Cl2NO and a molecular weight of 338.28 g/mol. Its IUPAC name is 2-(butylamino)-1,1-bis(4-chlorophenyl)ethanol.

Molecular Properties

Compound Name2-(butylamino)-1,1-bis(4-chlorophenyl)ethanol
PubChem CID3257554
Molecular FormulaC18H21Cl2NO
Molecular Weight338.28 g/mol
Exact Mass337.10
IUPAC Name2-(butylamino)-1,1-bis(4-chlorophenyl)ethanol
SMILESCCCCNCC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H21Cl2NO/c1-2-3-12-21-13-18(22,14-4-8-16(19)9-5-14)15-6-10-17(20)11-7-15/h4-11,21-22H,2-3,12-13H2,1H3
InChIKeyMNENUMVAFKDMEM-UHFFFAOYSA-N
XLogP4.62
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.28
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(butylamino)-1,1-bis(4-chlorophenyl)ethanol?
The IUPAC name of 2-(butylamino)-1,1-bis(4-chlorophenyl)ethanol (CID 3257554) is 2-(butylamino)-1,1-bis(4-chlorophenyl)ethanol.
What is the SMILES notation for 2-(butylamino)-1,1-bis(4-chlorophenyl)ethanol?
The canonical SMILES for 2-(butylamino)-1,1-bis(4-chlorophenyl)ethanol is CCCCNCC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(butylamino)-1,1-bis(4-chlorophenyl)ethanol?
The InChIKey is MNENUMVAFKDMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2NO/c1-2-3-12-21-13-18(22,14-4-8-16(19)9-5-14)15-6-10-17(20)11-7-15/h4-11,21-22H,2-3,12-13H2,1H3.
What are the key properties of 2-(butylamino)-1,1-bis(4-chlorophenyl)ethanol?
2-(butylamino)-1,1-bis(4-chlorophenyl)ethanol has a molecular weight of 338.28 g/mol, XLogP of 4.62, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)-1,1-bis(4-chlorophenyl)ethanol is sourced from PubChem (CID 3257554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).