[4-[5-chloro-2-(methylaminomethyl)phenoxy]phenyl]methanol

C15H16ClNO2 — CID 114856813

IUPAC[4-[5-chloro-2-(methylaminomethyl)phenoxy]phenyl]methanol
SMILESCNCc1ccc(Cl)cc1Oc1ccc(CO)cc1
InChIInChI=1S/C15H16ClNO2/c1-17-9-12-4-5-13(16)8-15(12)19-14-6-2-11(10-18)3-7-14/h2-8,17-18H,9-10H2,1H3
InChIKeyCHRQLDBRQNGJNR-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.34
Rot. Bonds5

About [4-[5-chloro-2-(methylaminomethyl)phenoxy]phenyl]methanol

[4-[5-chloro-2-(methylaminomethyl)phenoxy]phenyl]methanol (PubChem CID 114856813) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is [4-[5-chloro-2-(methylaminomethyl)phenoxy]phenyl]methanol.

Molecular Properties

Compound Name[4-[5-chloro-2-(methylaminomethyl)phenoxy]phenyl]methanol
PubChem CID114856813
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name[4-[5-chloro-2-(methylaminomethyl)phenoxy]phenyl]methanol
SMILESCNCc1ccc(Cl)cc1Oc1ccc(CO)cc1
InChIInChI=1S/C15H16ClNO2/c1-17-9-12-4-5-13(16)8-15(12)19-14-6-2-11(10-18)3-7-14/h2-8,17-18H,9-10H2,1H3
InChIKeyCHRQLDBRQNGJNR-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-[4-chloro-2-(4-propoxyphenoxy)phenyl]-N-methylmethanamine
CID 114856068
1-[4-chloro-2-(3-chloro-4-fluorophenoxy)phenyl]-N-methylmethanamine
CID 44562614
1-[4-chloro-2-(3,4-dimethylphenoxy)phenyl]-N-methylmethanamine
CID 44562943
[4-chloro-2-(4-chlorophenoxy)phenyl]methanol
CID 86078233
1-[5-chloro-2-(4-ethylphenoxy)phenyl]-N-methylmethanamine
CID 114855442
1-[4-chloro-2-(3-ethylphenoxy)phenyl]-N-methylmethanamine
CID 114855010
1-[4-chloro-2-(3-methylphenoxy)phenyl]-N-methylmethanamine
CID 114855627
[4-(4-chloro-2-methylphenoxy)phenyl]methanol
CID 28946141
1-[5-chloro-2-(4-chlorophenoxy)phenyl]-N-methylmethanamine;hydrochloride
CID 126796195
N-[[4-chloro-2-(4-chlorophenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 114855553
1-[5-chloro-2-(4-methoxyphenoxy)phenyl]-N-methylmethanamine
CID 114855838
1-[4-chloro-2-(4-ethyl-2-methoxyphenoxy)phenyl]-N-methylmethanamine
CID 107666852

Frequently Asked Questions

What is the IUPAC name of [4-[5-chloro-2-(methylaminomethyl)phenoxy]phenyl]methanol?
The IUPAC name of [4-[5-chloro-2-(methylaminomethyl)phenoxy]phenyl]methanol (CID 114856813) is [4-[5-chloro-2-(methylaminomethyl)phenoxy]phenyl]methanol.
What is the SMILES notation for [4-[5-chloro-2-(methylaminomethyl)phenoxy]phenyl]methanol?
The canonical SMILES for [4-[5-chloro-2-(methylaminomethyl)phenoxy]phenyl]methanol is CNCc1ccc(Cl)cc1Oc1ccc(CO)cc1.
What is the InChIKey of [4-[5-chloro-2-(methylaminomethyl)phenoxy]phenyl]methanol?
The InChIKey is CHRQLDBRQNGJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-17-9-12-4-5-13(16)8-15(12)19-14-6-2-11(10-18)3-7-14/h2-8,17-18H,9-10H2,1H3.
What are the key properties of [4-[5-chloro-2-(methylaminomethyl)phenoxy]phenyl]methanol?
[4-[5-chloro-2-(methylaminomethyl)phenoxy]phenyl]methanol 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 [4-[5-chloro-2-(methylaminomethyl)phenoxy]phenyl]methanol is sourced from PubChem (CID 114856813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).