2,4-dichloro-6-[[(2-methyl-2-morpholin-4-ylpropyl)amino]methyl]phenol

C15H22Cl2N2O2 — CID 29030381

IUPAC2,4-dichloro-6-[[(2-methyl-2-morpholin-4-ylpropyl)amino]methyl]phenol
SMILESCC(C)(CNCc1cc(Cl)cc(Cl)c1O)N1CCOCC1
InChIInChI=1S/C15H22Cl2N2O2/c1-15(2,19-3-5-21-6-4-19)10-18-9-11-7-12(16)8-13(17)14(11)20/h7-8,18,20H,3-6,9-10H2,1-2H3
InChIKeyFCKXFLNPOXJCPQ-UHFFFAOYSA-N
MW333.26 g/mol
LogP2.90
Rot. Bonds5

About 2,4-dichloro-6-[[(2-methyl-2-morpholin-4-ylpropyl)amino]methyl]phenol

2,4-dichloro-6-[[(2-methyl-2-morpholin-4-ylpropyl)amino]methyl]phenol (PubChem CID 29030381) has the molecular formula C15H22Cl2N2O2 and a molecular weight of 333.26 g/mol. Its IUPAC name is 2,4-dichloro-6-[[(2-methyl-2-morpholin-4-ylpropyl)amino]methyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[[(2-methyl-2-morpholin-4-ylpropyl)amino]methyl]phenol
PubChem CID29030381
Molecular FormulaC15H22Cl2N2O2
Molecular Weight333.26 g/mol
Exact Mass332.11
IUPAC Name2,4-dichloro-6-[[(2-methyl-2-morpholin-4-ylpropyl)amino]methyl]phenol
SMILESCC(C)(CNCc1cc(Cl)cc(Cl)c1O)N1CCOCC1
InChIInChI=1S/C15H22Cl2N2O2/c1-15(2,19-3-5-21-6-4-19)10-18-9-11-7-12(16)8-13(17)14(11)20/h7-8,18,20H,3-6,9-10H2,1-2H3
InChIKeyFCKXFLNPOXJCPQ-UHFFFAOYSA-N
XLogP2.90
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.26
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-bromo-4-chlorophenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 81497365
N-[(2,6-dichlorophenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 29285730
N-[(3-chlorophenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 28643355
2,4-dichloro-6-[[(4-methyloxan-4-yl)methylamino]methyl]phenol
CID 103743527
N-[(2,5-dimethylphenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 60658264
N-[(2-fluorophenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 28643365
N-[(5-chlorothiophen-2-yl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 28643425
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 79611444
2-[[(1-tert-butylpiperidin-4-yl)amino]methyl]-4,6-dichlorophenol
CID 60931668
2-bromo-4-[[(2-methyl-2-morpholin-4-ylpropyl)amino]methyl]phenol
CID 60658294
2,4-dichloro-6-[(oxan-4-ylamino)methyl]phenol
CID 43609941
N-[(2-methoxyphenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 28625170

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[[(2-methyl-2-morpholin-4-ylpropyl)amino]methyl]phenol?
The IUPAC name of 2,4-dichloro-6-[[(2-methyl-2-morpholin-4-ylpropyl)amino]methyl]phenol (CID 29030381) is 2,4-dichloro-6-[[(2-methyl-2-morpholin-4-ylpropyl)amino]methyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[[(2-methyl-2-morpholin-4-ylpropyl)amino]methyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[[(2-methyl-2-morpholin-4-ylpropyl)amino]methyl]phenol is CC(C)(CNCc1cc(Cl)cc(Cl)c1O)N1CCOCC1.
What is the InChIKey of 2,4-dichloro-6-[[(2-methyl-2-morpholin-4-ylpropyl)amino]methyl]phenol?
The InChIKey is FCKXFLNPOXJCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2O2/c1-15(2,19-3-5-21-6-4-19)10-18-9-11-7-12(16)8-13(17)14(11)20/h7-8,18,20H,3-6,9-10H2,1-2H3.
What are the key properties of 2,4-dichloro-6-[[(2-methyl-2-morpholin-4-ylpropyl)amino]methyl]phenol?
2,4-dichloro-6-[[(2-methyl-2-morpholin-4-ylpropyl)amino]methyl]phenol has a molecular weight of 333.26 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[[(2-methyl-2-morpholin-4-ylpropyl)amino]methyl]phenol is sourced from PubChem (CID 29030381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).