2-chloro-6-methoxy-4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol

C15H23ClN2O2 — CID 82979703

IUPAC2-chloro-6-methoxy-4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol
SMILESCOc1cc(CN(C)CCN2CCCC2)cc(Cl)c1O
InChIInChI=1S/C15H23ClN2O2/c1-17(7-8-18-5-3-4-6-18)11-12-9-13(16)15(19)14(10-12)20-2/h9-10,19H,3-8,11H2,1-2H3
InChIKeyLAESCMHPYBNNRI-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.58
Rot. Bonds6

About 2-chloro-6-methoxy-4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol

2-chloro-6-methoxy-4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol (PubChem CID 82979703) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 2-chloro-6-methoxy-4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-chloro-6-methoxy-4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol
PubChem CID82979703
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name2-chloro-6-methoxy-4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol
SMILESCOc1cc(CN(C)CCN2CCCC2)cc(Cl)c1O
InChIInChI=1S/C15H23ClN2O2/c1-17(7-8-18-5-3-4-6-18)11-12-9-13(16)15(19)14(10-12)20-2/h9-10,19H,3-8,11H2,1-2H3
InChIKeyLAESCMHPYBNNRI-UHFFFAOYSA-N
XLogP2.58
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-[[2-(dimethylamino)ethyl-methylamino]methyl]-6-methoxyphenol
CID 82981074
2-chloro-6-methoxy-4-[[methyl(2-methylsulfonylethyl)amino]methyl]phenol
CID 82983833
N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N-methyl-2-pyrrolidin-1-ylethanamine
CID 106785505
2-chloro-6-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol
CID 112616281
2-chloro-4-[[3-(dimethylamino)piperidin-1-yl]methyl]-6-methoxyphenol
CID 82983112
2-chloro-6-methoxy-4-[[methyl(pentan-3-yl)amino]methyl]phenol
CID 82976773
2-chloro-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-6-methoxyphenol
CID 82977569
2-chloro-6-methoxy-4-[[methyl(oxan-4-yl)amino]methyl]phenol
CID 82977675
2-(3,4-dimethoxyphenyl)-N-methyl-N-[[3-(2-piperidin-1-ylethyl)phenyl]methyl]ethanamine
CID 71034554
2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl-methylamino]-1-pyrrolidin-1-ylethanone
CID 82957351
1-(5-fluoro-2-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone
CID 63207824
[(3S)-1-[(3-chloro-4-hydroxy-5-methoxyphenyl)methyl]piperidin-3-yl]-(3-chlorophenyl)methanone
CID 26328496

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methoxy-4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol?
The IUPAC name of 2-chloro-6-methoxy-4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol (CID 82979703) is 2-chloro-6-methoxy-4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol.
What is the SMILES notation for 2-chloro-6-methoxy-4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol?
The canonical SMILES for 2-chloro-6-methoxy-4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol is COc1cc(CN(C)CCN2CCCC2)cc(Cl)c1O.
What is the InChIKey of 2-chloro-6-methoxy-4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol?
The InChIKey is LAESCMHPYBNNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-17(7-8-18-5-3-4-6-18)11-12-9-13(16)15(19)14(10-12)20-2/h9-10,19H,3-8,11H2,1-2H3.
What are the key properties of 2-chloro-6-methoxy-4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol?
2-chloro-6-methoxy-4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol has a molecular weight of 298.81 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methoxy-4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol is sourced from PubChem (CID 82979703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).