1-[2-chloro-6-(methylaminomethyl)phenoxy]-2-phenylpropan-2-ol

C17H20ClNO2 — CID 115952355

IUPAC1-[2-chloro-6-(methylaminomethyl)phenoxy]-2-phenylpropan-2-ol
SMILESCNCc1cccc(Cl)c1OCC(C)(O)c1ccccc1
InChIInChI=1S/C17H20ClNO2/c1-17(20,14-8-4-3-5-9-14)12-21-16-13(11-19-2)7-6-10-15(16)18/h3-10,19-20H,11-12H2,1-2H3
InChIKeyDSAMCLGTWVOUOR-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.35
Rot. Bonds6

About 1-[2-chloro-6-(methylaminomethyl)phenoxy]-2-phenylpropan-2-ol

1-[2-chloro-6-(methylaminomethyl)phenoxy]-2-phenylpropan-2-ol (PubChem CID 115952355) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 1-[2-chloro-6-(methylaminomethyl)phenoxy]-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-[2-chloro-6-(methylaminomethyl)phenoxy]-2-phenylpropan-2-ol
PubChem CID115952355
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name1-[2-chloro-6-(methylaminomethyl)phenoxy]-2-phenylpropan-2-ol
SMILESCNCc1cccc(Cl)c1OCC(C)(O)c1ccccc1
InChIInChI=1S/C17H20ClNO2/c1-17(20,14-8-4-3-5-9-14)12-21-16-13(11-19-2)7-6-10-15(16)18/h3-10,19-20H,11-12H2,1-2H3
InChIKeyDSAMCLGTWVOUOR-UHFFFAOYSA-N
XLogP3.35
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-2-ethoxyphenyl)-N-methylmethanamine
CID 58664109
1-[3-chloro-2-(pyrimidin-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 112608649
1-[3-chloro-2-(2-fluoroethoxy)phenyl]-N-methylmethanamine
CID 112608474
1-[2-(2-bromoprop-2-enoxy)-3-chlorophenyl]-N-methylmethanamine
CID 112608720
1-(2,3-dichlorophenoxy)-2-phenylpropan-2-ol
CID 55068242
1-[3-chloro-2-(3-methylbutoxy)phenyl]-N-methylmethanamine
CID 112608537
3-[[2-chloro-6-(methylaminomethyl)phenoxy]methyl]phenol
CID 112608572
1-[2-(aminomethyl)-4,6-dichlorophenoxy]-2-phenylpropan-2-ol
CID 62374983
1-[3-chloro-2-(3-methylsulfonylpropoxy)phenyl]-N-methylmethanamine
CID 112608503
ethyl 2-[2-chloro-6-(methylaminomethyl)phenoxy]acetate
CID 112608576
1-(3-chloro-2-fluorophenoxy)-2-phenylpropan-2-ol
CID 116689725
1-[2-bromo-6-(methylaminomethyl)phenoxy]-2-methylpropan-2-ol
CID 61390217

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-(methylaminomethyl)phenoxy]-2-phenylpropan-2-ol?
The IUPAC name of 1-[2-chloro-6-(methylaminomethyl)phenoxy]-2-phenylpropan-2-ol (CID 115952355) is 1-[2-chloro-6-(methylaminomethyl)phenoxy]-2-phenylpropan-2-ol.
What is the SMILES notation for 1-[2-chloro-6-(methylaminomethyl)phenoxy]-2-phenylpropan-2-ol?
The canonical SMILES for 1-[2-chloro-6-(methylaminomethyl)phenoxy]-2-phenylpropan-2-ol is CNCc1cccc(Cl)c1OCC(C)(O)c1ccccc1.
What is the InChIKey of 1-[2-chloro-6-(methylaminomethyl)phenoxy]-2-phenylpropan-2-ol?
The InChIKey is DSAMCLGTWVOUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-17(20,14-8-4-3-5-9-14)12-21-16-13(11-19-2)7-6-10-15(16)18/h3-10,19-20H,11-12H2,1-2H3.
What are the key properties of 1-[2-chloro-6-(methylaminomethyl)phenoxy]-2-phenylpropan-2-ol?
1-[2-chloro-6-(methylaminomethyl)phenoxy]-2-phenylpropan-2-ol has a molecular weight of 305.81 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-(methylaminomethyl)phenoxy]-2-phenylpropan-2-ol is sourced from PubChem (CID 115952355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).