2,4-dichloro-6-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]phenol

C14H15Cl2N3O — CID 43678664

IUPAC2,4-dichloro-6-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]phenol
SMILESCN(C)c1ccncc1NCc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C14H15Cl2N3O/c1-19(2)13-3-4-17-8-12(13)18-7-9-5-10(15)6-11(16)14(9)20/h3-6,8,18,20H,7H2,1-2H3
InChIKeyQNYNRDTYXLOMAC-UHFFFAOYSA-N
MW312.20 g/mol
LogP3.77
Rot. Bonds4

About 2,4-dichloro-6-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]phenol

2,4-dichloro-6-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]phenol (PubChem CID 43678664) has the molecular formula C14H15Cl2N3O and a molecular weight of 312.20 g/mol. Its IUPAC name is 2,4-dichloro-6-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]phenol
PubChem CID43678664
Molecular FormulaC14H15Cl2N3O
Molecular Weight312.20 g/mol
Exact Mass311.06
IUPAC Name2,4-dichloro-6-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]phenol
SMILESCN(C)c1ccncc1NCc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C14H15Cl2N3O/c1-19(2)13-3-4-17-8-12(13)18-7-9-5-10(15)6-11(16)14(9)20/h3-6,8,18,20H,7H2,1-2H3
InChIKeyQNYNRDTYXLOMAC-UHFFFAOYSA-N
XLogP3.77
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,4-dichloro-6-[[[4-(dimethylamino)-3-pyridinyl]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

2-chloro-6-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]phenol
CID 112606445
3-N-[(2-bromo-5-chlorophenyl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine
CID 66159679
3-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]benzene-1,2-diol
CID 61318267
3-N-[(3-chlorophenyl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine
CID 43678620
3-N-[(3-chloro-4-methylphenyl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine
CID 106816290
2,4-dichloro-6-[[(3-methyl-4-pyridinyl)methylamino]methyl]phenol
CID 114698958
3-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine
CID 107123923
2,4-dichloro-6-[(pyrimidin-5-ylamino)methyl]phenol
CID 107588088
2,4-dichloro-6-[(2,4-dimethylanilino)methyl]phenol
CID 28540840
2,4-dichloro-6-[(2-ethylanilino)methyl]phenol
CID 28525259
2-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]-6-methylpyridin-3-ol
CID 79162436
2,4-dichloro-6-[(2-chloro-4-iodoanilino)methyl]phenol
CID 43733779

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]phenol?
The IUPAC name of 2,4-dichloro-6-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]phenol (CID 43678664) is 2,4-dichloro-6-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]phenol is CN(C)c1ccncc1NCc1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 2,4-dichloro-6-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]phenol?
The InChIKey is QNYNRDTYXLOMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O/c1-19(2)13-3-4-17-8-12(13)18-7-9-5-10(15)6-11(16)14(9)20/h3-6,8,18,20H,7H2,1-2H3.
What are the key properties of 2,4-dichloro-6-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]phenol?
2,4-dichloro-6-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]phenol has a molecular weight of 312.20 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]phenol is sourced from PubChem (CID 43678664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).