2-[[4-[[bis[2-[methyl(pyridin-2-yl)amino]ethyl]amino]methyl]phenyl]methylamino]-1-(3-chlorophenyl)ethanol

C32H39ClN6O — CID 24810423

IUPAC2-[[4-[[bis[2-[methyl(pyridin-2-yl)amino]ethyl]amino]methyl]phenyl]methylamino]-1-(3-chlorophenyl)ethanol
SMILESCN(CCN(CCN(C)c1ccccn1)Cc1ccc(CNCC(O)c2cccc(Cl)c2)cc1)c1ccccn1
InChIInChI=1S/C32H39ClN6O/c1-37(31-10-3-5-16-35-31)18-20-39(21-19-38(2)32-11-4-6-17-36-32)25-27-14-12-26(13-15-27)23-34-24-30(40)28-8-7-9-29(33)22-28/h3-17,22,30,34,40H,18-21,23-25H2,1-2H3
InChIKeyDXLUMWMBINKFGY-UHFFFAOYSA-N
MW559.16 g/mol
LogP5.03
Rot. Bonds15

About 2-[[4-[[bis[2-[methyl(pyridin-2-yl)amino]ethyl]amino]methyl]phenyl]methylamino]-1-(3-chlorophenyl)ethanol

2-[[4-[[bis[2-[methyl(pyridin-2-yl)amino]ethyl]amino]methyl]phenyl]methylamino]-1-(3-chlorophenyl)ethanol (PubChem CID 24810423) has the molecular formula C32H39ClN6O and a molecular weight of 559.16 g/mol. Its IUPAC name is 2-[[4-[[bis[2-[methyl(pyridin-2-yl)amino]ethyl]amino]methyl]phenyl]methylamino]-1-(3-chlorophenyl)ethanol.

Molecular Properties

Compound Name2-[[4-[[bis[2-[methyl(pyridin-2-yl)amino]ethyl]amino]methyl]phenyl]methylamino]-1-(3-chlorophenyl)ethanol
PubChem CID24810423
Molecular FormulaC32H39ClN6O
Molecular Weight559.16 g/mol
Exact Mass558.29
IUPAC Name2-[[4-[[bis[2-[methyl(pyridin-2-yl)amino]ethyl]amino]methyl]phenyl]methylamino]-1-(3-chlorophenyl)ethanol
SMILESCN(CCN(CCN(C)c1ccccn1)Cc1ccc(CNCC(O)c2cccc(Cl)c2)cc1)c1ccccn1
InChIInChI=1S/C32H39ClN6O/c1-37(31-10-3-5-16-35-31)18-20-39(21-19-38(2)32-11-4-6-17-36-32)25-27-14-12-26(13-15-27)23-34-24-30(40)28-8-7-9-29(33)22-28/h3-17,22,30,34,40H,18-21,23-25H2,1-2H3
InChIKeyDXLUMWMBINKFGY-UHFFFAOYSA-N
XLogP5.03
TPSA67.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.16
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[4-[[bis[2-[methyl(pyridin-2-yl)amino]ethyl]amino]methyl]phenyl]methylamino]-1-(3-chlorophenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[bis[2-[methyl(pyridin-2-yl)amino]ethyl]amino]methyl]phenyl]methylamino]-1-(3-chlorophenyl)ethanol?
The IUPAC name of 2-[[4-[[bis[2-[methyl(pyridin-2-yl)amino]ethyl]amino]methyl]phenyl]methylamino]-1-(3-chlorophenyl)ethanol (CID 24810423) is 2-[[4-[[bis[2-[methyl(pyridin-2-yl)amino]ethyl]amino]methyl]phenyl]methylamino]-1-(3-chlorophenyl)ethanol.
What is the SMILES notation for 2-[[4-[[bis[2-[methyl(pyridin-2-yl)amino]ethyl]amino]methyl]phenyl]methylamino]-1-(3-chlorophenyl)ethanol?
The canonical SMILES for 2-[[4-[[bis[2-[methyl(pyridin-2-yl)amino]ethyl]amino]methyl]phenyl]methylamino]-1-(3-chlorophenyl)ethanol is CN(CCN(CCN(C)c1ccccn1)Cc1ccc(CNCC(O)c2cccc(Cl)c2)cc1)c1ccccn1.
What is the InChIKey of 2-[[4-[[bis[2-[methyl(pyridin-2-yl)amino]ethyl]amino]methyl]phenyl]methylamino]-1-(3-chlorophenyl)ethanol?
The InChIKey is DXLUMWMBINKFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39ClN6O/c1-37(31-10-3-5-16-35-31)18-20-39(21-19-38(2)32-11-4-6-17-36-32)25-27-14-12-26(13-15-27)23-34-24-30(40)28-8-7-9-29(33)22-28/h3-17,22,30,34,40H,18-21,23-25H2,1-2H3.
What are the key properties of 2-[[4-[[bis[2-[methyl(pyridin-2-yl)amino]ethyl]amino]methyl]phenyl]methylamino]-1-(3-chlorophenyl)ethanol?
2-[[4-[[bis[2-[methyl(pyridin-2-yl)amino]ethyl]amino]methyl]phenyl]methylamino]-1-(3-chlorophenyl)ethanol has a molecular weight of 559.16 g/mol, XLogP of 5.03, 15 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[bis[2-[methyl(pyridin-2-yl)amino]ethyl]amino]methyl]phenyl]methylamino]-1-(3-chlorophenyl)ethanol is sourced from PubChem (CID 24810423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).