3-[[2-chloro-6-(methylaminomethyl)phenoxy]methyl]phenol

C15H16ClNO2 — CID 112608572

IUPAC3-[[2-chloro-6-(methylaminomethyl)phenoxy]methyl]phenol
SMILESCNCc1cccc(Cl)c1OCc1cccc(O)c1
InChIInChI=1S/C15H16ClNO2/c1-17-9-12-5-3-7-14(16)15(12)19-10-11-4-2-6-13(18)8-11/h2-8,17-18H,9-10H2,1H3
InChIKeyRJNZEXQPMAXDTI-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.34
Rot. Bonds5

About 3-[[2-chloro-6-(methylaminomethyl)phenoxy]methyl]phenol

3-[[2-chloro-6-(methylaminomethyl)phenoxy]methyl]phenol (PubChem CID 112608572) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 3-[[2-chloro-6-(methylaminomethyl)phenoxy]methyl]phenol.

Molecular Properties

Compound Name3-[[2-chloro-6-(methylaminomethyl)phenoxy]methyl]phenol
PubChem CID112608572
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name3-[[2-chloro-6-(methylaminomethyl)phenoxy]methyl]phenol
SMILESCNCc1cccc(Cl)c1OCc1cccc(O)c1
InChIInChI=1S/C15H16ClNO2/c1-17-9-12-5-3-7-14(16)15(12)19-10-11-4-2-6-13(18)8-11/h2-8,17-18H,9-10H2,1H3
InChIKeyRJNZEXQPMAXDTI-UHFFFAOYSA-N
XLogP3.34
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-chloro-2-(thiophen-3-ylmethoxy)phenyl]-N-methylmethanamine
CID 112608676
5-[[2-chloro-6-(methylaminomethyl)phenoxy]methyl]-2-fluorobenzonitrile
CID 107879775
1-(3-chloro-2-ethoxyphenyl)-N-methylmethanamine
CID 58664109
1-[3-chloro-2-(pyrimidin-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 112608649
1-[3,5-dichloro-2-[(3-chlorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 63499190
1-[2-[(3,4-dichlorophenyl)methoxy]-3-methylphenyl]-N-methylmethanamine
CID 115952133
N-[[3-chloro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 115952940
1-[3-chloro-2-[(4-fluoro-2-methylphenyl)methoxy]phenyl]-N-methylmethanamine
CID 114345835
1-[2-[(3-bromophenyl)methoxy]-3,5-dichlorophenyl]-N-methylmethanamine
CID 63501527
1-[3-chloro-2-(2-fluoroethoxy)phenyl]-N-methylmethanamine
CID 112608474
1-[2-(2-bromoprop-2-enoxy)-3-chlorophenyl]-N-methylmethanamine
CID 112608720
1-[2-chloro-6-(methylaminomethyl)phenoxy]-2-phenylpropan-2-ol
CID 115952355

Frequently Asked Questions

What is the IUPAC name of 3-[[2-chloro-6-(methylaminomethyl)phenoxy]methyl]phenol?
The IUPAC name of 3-[[2-chloro-6-(methylaminomethyl)phenoxy]methyl]phenol (CID 112608572) is 3-[[2-chloro-6-(methylaminomethyl)phenoxy]methyl]phenol.
What is the SMILES notation for 3-[[2-chloro-6-(methylaminomethyl)phenoxy]methyl]phenol?
The canonical SMILES for 3-[[2-chloro-6-(methylaminomethyl)phenoxy]methyl]phenol is CNCc1cccc(Cl)c1OCc1cccc(O)c1.
What is the InChIKey of 3-[[2-chloro-6-(methylaminomethyl)phenoxy]methyl]phenol?
The InChIKey is RJNZEXQPMAXDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-17-9-12-5-3-7-14(16)15(12)19-10-11-4-2-6-13(18)8-11/h2-8,17-18H,9-10H2,1H3.
What are the key properties of 3-[[2-chloro-6-(methylaminomethyl)phenoxy]methyl]phenol?
3-[[2-chloro-6-(methylaminomethyl)phenoxy]methyl]phenol has a molecular weight of 277.75 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-chloro-6-(methylaminomethyl)phenoxy]methyl]phenol is sourced from PubChem (CID 112608572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).