2,4-dichloro-6-[(2-propylanilino)methyl]phenol

C16H17Cl2NO — CID 43687415

IUPAC2,4-dichloro-6-[(2-propylanilino)methyl]phenol
SMILESCCCc1ccccc1NCc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C16H17Cl2NO/c1-2-5-11-6-3-4-7-15(11)19-10-12-8-13(17)9-14(18)16(12)20/h3-4,6-9,19-20H,2,5,10H2,1H3
InChIKeyVAXOLOYHSCXOSM-UHFFFAOYSA-N
MW310.22 g/mol
LogP5.26
Rot. Bonds5

About 2,4-dichloro-6-[(2-propylanilino)methyl]phenol

2,4-dichloro-6-[(2-propylanilino)methyl]phenol (PubChem CID 43687415) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is 2,4-dichloro-6-[(2-propylanilino)methyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[(2-propylanilino)methyl]phenol
PubChem CID43687415
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC Name2,4-dichloro-6-[(2-propylanilino)methyl]phenol
SMILESCCCc1ccccc1NCc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C16H17Cl2NO/c1-2-5-11-6-3-4-7-15(11)19-10-12-8-13(17)9-14(18)16(12)20/h3-4,6-9,19-20H,2,5,10H2,1H3
InChIKeyVAXOLOYHSCXOSM-UHFFFAOYSA-N
XLogP5.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.22
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,4-dichloro-6-[(2-propylanilino)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

2,4-dichloro-6-[(2-ethylanilino)methyl]phenol
CID 28525259
3-chloro-2-[(2-propylanilino)methyl]phenol
CID 114317993
2,4-dichloro-6-[(2,4-dimethylanilino)methyl]phenol
CID 28540840
2,4-dichloro-6-[(2-chloro-4-iodoanilino)methyl]phenol
CID 43733779
2,4-dichloro-6-[(2-chloro-4-fluoroanilino)methyl]phenol
CID 29079835
2,4-dichloro-6-[(2-chloro-5-fluoroanilino)methyl]phenol
CID 107527486
2-[(2-propylanilino)methyl]benzoic acid
CID 103246196
2,4-dichloro-6-[(2,4-dimethoxyanilino)methyl]phenol
CID 29274459
2,4-dichloro-6-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]phenol
CID 43678664
2-chloro-6-[[2-(methoxymethyl)anilino]methyl]phenol
CID 112553795
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-propylaniline
CID 102832325
2,4-dichloro-6-[(ethoxyamino)methyl]phenol
CID 82710474

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[(2-propylanilino)methyl]phenol?
The IUPAC name of 2,4-dichloro-6-[(2-propylanilino)methyl]phenol (CID 43687415) is 2,4-dichloro-6-[(2-propylanilino)methyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[(2-propylanilino)methyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[(2-propylanilino)methyl]phenol is CCCc1ccccc1NCc1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 2,4-dichloro-6-[(2-propylanilino)methyl]phenol?
The InChIKey is VAXOLOYHSCXOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO/c1-2-5-11-6-3-4-7-15(11)19-10-12-8-13(17)9-14(18)16(12)20/h3-4,6-9,19-20H,2,5,10H2,1H3.
What are the key properties of 2,4-dichloro-6-[(2-propylanilino)methyl]phenol?
2,4-dichloro-6-[(2-propylanilino)methyl]phenol has a molecular weight of 310.22 g/mol, XLogP of 5.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[(2-propylanilino)methyl]phenol is sourced from PubChem (CID 43687415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).