2,4-dichloro-6-[[[1-(2-methoxyethyl)pyrrolidin-3-yl]amino]methyl]phenol

C14H20Cl2N2O2 — CID 56803551

IUPAC2,4-dichloro-6-[[[1-(2-methoxyethyl)pyrrolidin-3-yl]amino]methyl]phenol
SMILESCOCCN1CCC(NCc2cc(Cl)cc(Cl)c2O)C1
InChIInChI=1S/C14H20Cl2N2O2/c1-20-5-4-18-3-2-12(9-18)17-8-10-6-11(15)7-13(16)14(10)19/h6-7,12,17,19H,2-5,8-9H2,1H3
InChIKeyWZFKIZOIEJTQIW-UHFFFAOYSA-N
MW319.23 g/mol
LogP2.51
Rot. Bonds6

About 2,4-dichloro-6-[[[1-(2-methoxyethyl)pyrrolidin-3-yl]amino]methyl]phenol

2,4-dichloro-6-[[[1-(2-methoxyethyl)pyrrolidin-3-yl]amino]methyl]phenol (PubChem CID 56803551) has the molecular formula C14H20Cl2N2O2 and a molecular weight of 319.23 g/mol. Its IUPAC name is 2,4-dichloro-6-[[[1-(2-methoxyethyl)pyrrolidin-3-yl]amino]methyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[[[1-(2-methoxyethyl)pyrrolidin-3-yl]amino]methyl]phenol
PubChem CID56803551
Molecular FormulaC14H20Cl2N2O2
Molecular Weight319.23 g/mol
Exact Mass318.09
IUPAC Name2,4-dichloro-6-[[[1-(2-methoxyethyl)pyrrolidin-3-yl]amino]methyl]phenol
SMILESCOCCN1CCC(NCc2cc(Cl)cc(Cl)c2O)C1
InChIInChI=1S/C14H20Cl2N2O2/c1-20-5-4-18-3-2-12(9-18)17-8-10-6-11(15)7-13(16)14(10)19/h6-7,12,17,19H,2-5,8-9H2,1H3
InChIKeyWZFKIZOIEJTQIW-UHFFFAOYSA-N
XLogP2.51
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.23
LogP ≤ 52.51
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

2,4-dichloro-6-[[(1-ethylpiperidin-4-yl)amino]methyl]phenol
CID 54917129
2-[[(1-tert-butylpiperidin-4-yl)amino]methyl]-4,6-dichlorophenol
CID 60931668
2,4-dichloro-6-[(cyclobutylamino)methyl]phenol
CID 62416291
2,4-dichloro-6-[[(3-methoxycyclobutyl)amino]methyl]phenol
CID 104588001
2,4-dichloro-6-[(cyclononylamino)methyl]phenol
CID 90015699
4-chloro-2-methoxy-6-[[(1-methylpiperidin-3-yl)amino]methyl]phenol
CID 104646165
tert-butyl 3-[(3,5-dichloro-2-hydroxyphenyl)methylamino]azetidine-1-carboxylate
CID 103748570
2,4-dichloro-6-[(oxan-4-ylamino)methyl]phenol
CID 43609941
2,4-dichloro-6-[[9-[4-[1-[9-[(3,5-dichloro-2-hydroxyphenyl)methylamino]nonyl]piperidin-4-yl]oxypiperidin-1-yl]nonylamino]methyl]phenol
CID 142786475
2,4-dichloro-6-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]phenol
CID 103965532
2,4-dichloro-6-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]phenol
CID 63899124
2-[(4-tert-butylpiperidin-1-yl)methyl]-4,6-dichlorophenol
CID 82986743

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[[[1-(2-methoxyethyl)pyrrolidin-3-yl]amino]methyl]phenol?
The IUPAC name of 2,4-dichloro-6-[[[1-(2-methoxyethyl)pyrrolidin-3-yl]amino]methyl]phenol (CID 56803551) is 2,4-dichloro-6-[[[1-(2-methoxyethyl)pyrrolidin-3-yl]amino]methyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[[[1-(2-methoxyethyl)pyrrolidin-3-yl]amino]methyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[[[1-(2-methoxyethyl)pyrrolidin-3-yl]amino]methyl]phenol is COCCN1CCC(NCc2cc(Cl)cc(Cl)c2O)C1.
What is the InChIKey of 2,4-dichloro-6-[[[1-(2-methoxyethyl)pyrrolidin-3-yl]amino]methyl]phenol?
The InChIKey is WZFKIZOIEJTQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O2/c1-20-5-4-18-3-2-12(9-18)17-8-10-6-11(15)7-13(16)14(10)19/h6-7,12,17,19H,2-5,8-9H2,1H3.
What are the key properties of 2,4-dichloro-6-[[[1-(2-methoxyethyl)pyrrolidin-3-yl]amino]methyl]phenol?
2,4-dichloro-6-[[[1-(2-methoxyethyl)pyrrolidin-3-yl]amino]methyl]phenol has a molecular weight of 319.23 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[[[1-(2-methoxyethyl)pyrrolidin-3-yl]amino]methyl]phenol is sourced from PubChem (CID 56803551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).