(3,4-dichlorophenyl)-[2-[(dimethylamino)methyl]phenyl]methanol

C16H17Cl2NO — CID 15115364

IUPAC(3,4-dichlorophenyl)-[2-[(dimethylamino)methyl]phenyl]methanol
SMILESCN(C)Cc1ccccc1C(O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H17Cl2NO/c1-19(2)10-12-5-3-4-6-13(12)16(20)11-7-8-14(17)15(18)9-11/h3-9,16,20H,10H2,1-2H3
InChIKeyJKBJIWKBKAEYBB-UHFFFAOYSA-N
MW310.22 g/mol
LogP4.14
Rot. Bonds4

About (3,4-dichlorophenyl)-[2-[(dimethylamino)methyl]phenyl]methanol

(3,4-dichlorophenyl)-[2-[(dimethylamino)methyl]phenyl]methanol (PubChem CID 15115364) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-[2-[(dimethylamino)methyl]phenyl]methanol.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-[2-[(dimethylamino)methyl]phenyl]methanol
PubChem CID15115364
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC Name(3,4-dichlorophenyl)-[2-[(dimethylamino)methyl]phenyl]methanol
SMILESCN(C)Cc1ccccc1C(O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H17Cl2NO/c1-19(2)10-12-5-3-4-6-13(12)16(20)11-7-8-14(17)15(18)9-11/h3-9,16,20H,10H2,1-2H3
InChIKeyJKBJIWKBKAEYBB-UHFFFAOYSA-N
XLogP4.14
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-[2-[(dimethylamino)methyl]phenyl]methanol?
The IUPAC name of (3,4-dichlorophenyl)-[2-[(dimethylamino)methyl]phenyl]methanol (CID 15115364) is (3,4-dichlorophenyl)-[2-[(dimethylamino)methyl]phenyl]methanol.
What is the SMILES notation for (3,4-dichlorophenyl)-[2-[(dimethylamino)methyl]phenyl]methanol?
The canonical SMILES for (3,4-dichlorophenyl)-[2-[(dimethylamino)methyl]phenyl]methanol is CN(C)Cc1ccccc1C(O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (3,4-dichlorophenyl)-[2-[(dimethylamino)methyl]phenyl]methanol?
The InChIKey is JKBJIWKBKAEYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO/c1-19(2)10-12-5-3-4-6-13(12)16(20)11-7-8-14(17)15(18)9-11/h3-9,16,20H,10H2,1-2H3.
What are the key properties of (3,4-dichlorophenyl)-[2-[(dimethylamino)methyl]phenyl]methanol?
(3,4-dichlorophenyl)-[2-[(dimethylamino)methyl]phenyl]methanol has a molecular weight of 310.22 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-[2-[(dimethylamino)methyl]phenyl]methanol is sourced from PubChem (CID 15115364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).