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

C14H13Cl2NO — CID 686073

IUPAC2-amino-1,1-bis(4-chlorophenyl)ethanol
SMILESNCC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H13Cl2NO/c15-12-5-1-10(2-6-12)14(18,9-17)11-3-7-13(16)8-4-11/h1-8,18H,9,17H2
InChIKeyNEBLOWDPQKVZJW-UHFFFAOYSA-N
MW282.17 g/mol
LogP3.19
Rot. Bonds3

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

2-amino-1,1-bis(4-chlorophenyl)ethanol (PubChem CID 686073) has the molecular formula C14H13Cl2NO and a molecular weight of 282.17 g/mol. Its IUPAC name is 2-amino-1,1-bis(4-chlorophenyl)ethanol.

Molecular Properties

Compound Name2-amino-1,1-bis(4-chlorophenyl)ethanol
PubChem CID686073
Molecular FormulaC14H13Cl2NO
Molecular Weight282.17 g/mol
Exact Mass281.04
IUPAC Name2-amino-1,1-bis(4-chlorophenyl)ethanol
SMILESNCC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H13Cl2NO/c15-12-5-1-10(2-6-12)14(18,9-17)11-3-7-13(16)8-4-11/h1-8,18H,9,17H2
InChIKeyNEBLOWDPQKVZJW-UHFFFAOYSA-N
XLogP3.19
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1,1-bis(4-chlorophenyl)ethanol?
The IUPAC name of 2-amino-1,1-bis(4-chlorophenyl)ethanol (CID 686073) is 2-amino-1,1-bis(4-chlorophenyl)ethanol.
What is the SMILES notation for 2-amino-1,1-bis(4-chlorophenyl)ethanol?
The canonical SMILES for 2-amino-1,1-bis(4-chlorophenyl)ethanol is NCC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-amino-1,1-bis(4-chlorophenyl)ethanol?
The InChIKey is NEBLOWDPQKVZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO/c15-12-5-1-10(2-6-12)14(18,9-17)11-3-7-13(16)8-4-11/h1-8,18H,9,17H2.
What are the key properties of 2-amino-1,1-bis(4-chlorophenyl)ethanol?
2-amino-1,1-bis(4-chlorophenyl)ethanol has a molecular weight of 282.17 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1,1-bis(4-chlorophenyl)ethanol is sourced from PubChem (CID 686073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).