4-chloro-2,6-bis[[methyl(2-pyridin-2-ylethyl)amino]methyl]phenol

C24H29ClN4O — CID 139202506

IUPAC4-chloro-2,6-bis[[methyl(2-pyridin-2-ylethyl)amino]methyl]phenol
SMILESCN(CCc1ccccn1)Cc1cc(Cl)cc(CN(C)CCc2ccccn2)c1O
InChIInChI=1S/C24H29ClN4O/c1-28(13-9-22-7-3-5-11-26-22)17-19-15-21(25)16-20(24(19)30)18-29(2)14-10-23-8-4-6-12-27-23/h3-8,11-12,15-16,30H,9-10,13-14,17-18H2,1-2H3
InChIKeyAKRIESVGPFFMCH-UHFFFAOYSA-N
MW424.98 g/mol
LogP4.18
Rot. Bonds10

About 4-chloro-2,6-bis[[methyl(2-pyridin-2-ylethyl)amino]methyl]phenol

4-chloro-2,6-bis[[methyl(2-pyridin-2-ylethyl)amino]methyl]phenol (PubChem CID 139202506) has the molecular formula C24H29ClN4O and a molecular weight of 424.98 g/mol. Its IUPAC name is 4-chloro-2,6-bis[[methyl(2-pyridin-2-ylethyl)amino]methyl]phenol.

Molecular Properties

Compound Name4-chloro-2,6-bis[[methyl(2-pyridin-2-ylethyl)amino]methyl]phenol
PubChem CID139202506
Molecular FormulaC24H29ClN4O
Molecular Weight424.98 g/mol
Exact Mass424.20
IUPAC Name4-chloro-2,6-bis[[methyl(2-pyridin-2-ylethyl)amino]methyl]phenol
SMILESCN(CCc1ccccn1)Cc1cc(Cl)cc(CN(C)CCc2ccccn2)c1O
InChIInChI=1S/C24H29ClN4O/c1-28(13-9-22-7-3-5-11-26-22)17-19-15-21(25)16-20(24(19)30)18-29(2)14-10-23-8-4-6-12-27-23/h3-8,11-12,15-16,30H,9-10,13-14,17-18H2,1-2H3
InChIKeyAKRIESVGPFFMCH-UHFFFAOYSA-N
XLogP4.18
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.98
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 4-chloro-2,6-bis[[methyl(2-pyridin-2-ylethyl)amino]methyl]phenol with MolForge

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

Launch Full Analysis

Related Compounds

1-[5-chloro-2-hydroxy-3-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]ethanone
CID 62051425
N-[(3,5-dichloro-2-pyridinyl)methyl]-N-methyl-2-pyridin-2-ylethanamine
CID 75517351
N-[(2-bromophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine
CID 779150
N-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine;oxalic acid
CID 2845946
2,4-dichloro-6-[[methyl(2-phenylethyl)amino]methyl]phenol
CID 82981087
N-benzyl-N-methyl-2-pyridin-2-ylethanamine;oxalic acid
CID 17384893
3-fluoro-4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]benzoic acid
CID 63069441
1-(2-chlorophenyl)-2-[methyl(2-pyridin-2-ylethyl)amino]ethanone
CID 43228057
4-methoxy-3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]aniline
CID 43247155
4-fluoro-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]benzenecarbothioamide
CID 64765776
N-methyl-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 21307320
2-(aminomethyl)-4-chloro-N-methyl-N-(2-pyridin-2-ylethyl)aniline
CID 62492965

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,6-bis[[methyl(2-pyridin-2-ylethyl)amino]methyl]phenol?
The IUPAC name of 4-chloro-2,6-bis[[methyl(2-pyridin-2-ylethyl)amino]methyl]phenol (CID 139202506) is 4-chloro-2,6-bis[[methyl(2-pyridin-2-ylethyl)amino]methyl]phenol.
What is the SMILES notation for 4-chloro-2,6-bis[[methyl(2-pyridin-2-ylethyl)amino]methyl]phenol?
The canonical SMILES for 4-chloro-2,6-bis[[methyl(2-pyridin-2-ylethyl)amino]methyl]phenol is CN(CCc1ccccn1)Cc1cc(Cl)cc(CN(C)CCc2ccccn2)c1O.
What is the InChIKey of 4-chloro-2,6-bis[[methyl(2-pyridin-2-ylethyl)amino]methyl]phenol?
The InChIKey is AKRIESVGPFFMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O/c1-28(13-9-22-7-3-5-11-26-22)17-19-15-21(25)16-20(24(19)30)18-29(2)14-10-23-8-4-6-12-27-23/h3-8,11-12,15-16,30H,9-10,13-14,17-18H2,1-2H3.
What are the key properties of 4-chloro-2,6-bis[[methyl(2-pyridin-2-ylethyl)amino]methyl]phenol?
4-chloro-2,6-bis[[methyl(2-pyridin-2-ylethyl)amino]methyl]phenol has a molecular weight of 424.98 g/mol, XLogP of 4.18, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,6-bis[[methyl(2-pyridin-2-ylethyl)amino]methyl]phenol is sourced from PubChem (CID 139202506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).