2,4-dichloro-6-[(2-pyrrolidin-1-ylpropylamino)methyl]phenol

C14H20Cl2N2O — CID 78916433

IUPAC2,4-dichloro-6-[(2-pyrrolidin-1-ylpropylamino)methyl]phenol
SMILESCC(CNCc1cc(Cl)cc(Cl)c1O)N1CCCC1
InChIInChI=1S/C14H20Cl2N2O/c1-10(18-4-2-3-5-18)8-17-9-11-6-12(15)7-13(16)14(11)19/h6-7,10,17,19H,2-5,8-9H2,1H3
InChIKeyDSYNSPBHCUGRIM-UHFFFAOYSA-N
MW303.23 g/mol
LogP3.27
Rot. Bonds5

About 2,4-dichloro-6-[(2-pyrrolidin-1-ylpropylamino)methyl]phenol

2,4-dichloro-6-[(2-pyrrolidin-1-ylpropylamino)methyl]phenol (PubChem CID 78916433) has the molecular formula C14H20Cl2N2O and a molecular weight of 303.23 g/mol. Its IUPAC name is 2,4-dichloro-6-[(2-pyrrolidin-1-ylpropylamino)methyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[(2-pyrrolidin-1-ylpropylamino)methyl]phenol
PubChem CID78916433
Molecular FormulaC14H20Cl2N2O
Molecular Weight303.23 g/mol
Exact Mass302.10
IUPAC Name2,4-dichloro-6-[(2-pyrrolidin-1-ylpropylamino)methyl]phenol
SMILESCC(CNCc1cc(Cl)cc(Cl)c1O)N1CCCC1
InChIInChI=1S/C14H20Cl2N2O/c1-10(18-4-2-3-5-18)8-17-9-11-6-12(15)7-13(16)14(11)19/h6-7,10,17,19H,2-5,8-9H2,1H3
InChIKeyDSYNSPBHCUGRIM-UHFFFAOYSA-N
XLogP3.27
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-methoxy-6-[(2-pyrrolidin-1-ylpropylamino)methyl]phenol
CID 104663962
2,4-dichloro-6-[(2-methylbutylamino)methyl]phenol
CID 62693693
2,4-dichloro-6-[(2-ethoxypropylamino)methyl]phenol
CID 115655729
N-[(4-chloro-2-fluorophenyl)methyl]-2-piperidin-1-ylpropan-1-amine
CID 114842146
3-chloro-N'-hydroxy-4-[(2-pyrrolidin-1-ylpropylamino)methyl]benzenecarboximidamide
CID 102667377
2,4-dichloro-6-[(piperidin-1-ylamino)methyl]phenol
CID 83007449
N-[(4-chlorophenyl)methyl]-2-piperidin-1-ylpropan-1-amine
CID 54899450
2,6-difluoro-4-[(2-piperidin-1-ylpropylamino)methyl]phenol
CID 79831124
2-ethoxy-6-[(2-pyrrolidin-1-ylpropylamino)methyl]phenol
CID 78916438
acetic acid;2,4-dichloro-6-[[2-[(3,5-dichloro-2-hydroxyphenyl)methylamino]ethylamino]methyl]phenol
CID 70616535
2-(azocan-1-ylmethyl)-4,6-dichlorophenol
CID 82977984
N'-hydroxy-3-methyl-4-[(2-pyrrolidin-1-ylpropylamino)methyl]benzenecarboximidamide
CID 114483025

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[(2-pyrrolidin-1-ylpropylamino)methyl]phenol?
The IUPAC name of 2,4-dichloro-6-[(2-pyrrolidin-1-ylpropylamino)methyl]phenol (CID 78916433) is 2,4-dichloro-6-[(2-pyrrolidin-1-ylpropylamino)methyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[(2-pyrrolidin-1-ylpropylamino)methyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[(2-pyrrolidin-1-ylpropylamino)methyl]phenol is CC(CNCc1cc(Cl)cc(Cl)c1O)N1CCCC1.
What is the InChIKey of 2,4-dichloro-6-[(2-pyrrolidin-1-ylpropylamino)methyl]phenol?
The InChIKey is DSYNSPBHCUGRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O/c1-10(18-4-2-3-5-18)8-17-9-11-6-12(15)7-13(16)14(11)19/h6-7,10,17,19H,2-5,8-9H2,1H3.
What are the key properties of 2,4-dichloro-6-[(2-pyrrolidin-1-ylpropylamino)methyl]phenol?
2,4-dichloro-6-[(2-pyrrolidin-1-ylpropylamino)methyl]phenol has a molecular weight of 303.23 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[(2-pyrrolidin-1-ylpropylamino)methyl]phenol is sourced from PubChem (CID 78916433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).