[2-chloro-4-[(2-chlorophenyl)methyl-ethylamino]phenyl]methanol

C16H17Cl2NO — CID 155809849

IUPAC[2-chloro-4-[(2-chlorophenyl)methyl-ethylamino]phenyl]methanol
SMILESCCN(Cc1ccccc1Cl)c1ccc(CO)c(Cl)c1
InChIInChI=1S/C16H17Cl2NO/c1-2-19(10-12-5-3-4-6-15(12)17)14-8-7-13(11-20)16(18)9-14/h3-9,20H,2,10-11H2,1H3
InChIKeyJHIXPIOJPCXKTL-UHFFFAOYSA-N
MW310.22 g/mol
LogP4.51
Rot. Bonds5

About [2-chloro-4-[(2-chlorophenyl)methyl-ethylamino]phenyl]methanol

[2-chloro-4-[(2-chlorophenyl)methyl-ethylamino]phenyl]methanol (PubChem CID 155809849) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is [2-chloro-4-[(2-chlorophenyl)methyl-ethylamino]phenyl]methanol.

Molecular Properties

Compound Name[2-chloro-4-[(2-chlorophenyl)methyl-ethylamino]phenyl]methanol
PubChem CID155809849
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC Name[2-chloro-4-[(2-chlorophenyl)methyl-ethylamino]phenyl]methanol
SMILESCCN(Cc1ccccc1Cl)c1ccc(CO)c(Cl)c1
InChIInChI=1S/C16H17Cl2NO/c1-2-19(10-12-5-3-4-6-15(12)17)14-8-7-13(11-20)16(18)9-14/h3-9,20H,2,10-11H2,1H3
InChIKeyJHIXPIOJPCXKTL-UHFFFAOYSA-N
XLogP4.51
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-[(2-chlorophenyl)methyl-ethylamino]phenyl]methanol?
The IUPAC name of [2-chloro-4-[(2-chlorophenyl)methyl-ethylamino]phenyl]methanol (CID 155809849) is [2-chloro-4-[(2-chlorophenyl)methyl-ethylamino]phenyl]methanol.
What is the SMILES notation for [2-chloro-4-[(2-chlorophenyl)methyl-ethylamino]phenyl]methanol?
The canonical SMILES for [2-chloro-4-[(2-chlorophenyl)methyl-ethylamino]phenyl]methanol is CCN(Cc1ccccc1Cl)c1ccc(CO)c(Cl)c1.
What is the InChIKey of [2-chloro-4-[(2-chlorophenyl)methyl-ethylamino]phenyl]methanol?
The InChIKey is JHIXPIOJPCXKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO/c1-2-19(10-12-5-3-4-6-15(12)17)14-8-7-13(11-20)16(18)9-14/h3-9,20H,2,10-11H2,1H3.
What are the key properties of [2-chloro-4-[(2-chlorophenyl)methyl-ethylamino]phenyl]methanol?
[2-chloro-4-[(2-chlorophenyl)methyl-ethylamino]phenyl]methanol has a molecular weight of 310.22 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-[(2-chlorophenyl)methyl-ethylamino]phenyl]methanol is sourced from PubChem (CID 155809849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).