2-methyl-1-[4-[2-(methylamino)propyl]phenoxy]propan-2-ol

C14H23NO2 — CID 115494621

IUPAC2-methyl-1-[4-[2-(methylamino)propyl]phenoxy]propan-2-ol
SMILESCNC(C)Cc1ccc(OCC(C)(C)O)cc1
InChIInChI=1S/C14H23NO2/c1-11(15-4)9-12-5-7-13(8-6-12)17-10-14(2,3)16/h5-8,11,15-16H,9-10H2,1-4H3
InChIKeyMTJLKLRLVZESFB-UHFFFAOYSA-N
MW237.34 g/mol
LogP1.99
Rot. Bonds6

About 2-methyl-1-[4-[2-(methylamino)propyl]phenoxy]propan-2-ol

2-methyl-1-[4-[2-(methylamino)propyl]phenoxy]propan-2-ol (PubChem CID 115494621) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-methyl-1-[4-[2-(methylamino)propyl]phenoxy]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[4-[2-(methylamino)propyl]phenoxy]propan-2-ol
PubChem CID115494621
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-methyl-1-[4-[2-(methylamino)propyl]phenoxy]propan-2-ol
SMILESCNC(C)Cc1ccc(OCC(C)(C)O)cc1
InChIInChI=1S/C14H23NO2/c1-11(15-4)9-12-5-7-13(8-6-12)17-10-14(2,3)16/h5-8,11,15-16H,9-10H2,1-4H3
InChIKeyMTJLKLRLVZESFB-UHFFFAOYSA-N
XLogP1.99
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(2S)-2-(methylamino)propyl]phenoxy]acetic acid
CID 10236117
1-[4-(hydroxymethyl)phenoxy]-2-methylpropan-2-ol
CID 60884005
2-[4-[2-(methylamino)propyl]phenoxy]acetamide
CID 115494731
N-methyl-1-[4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]propan-2-amine
CID 115494781
N-methyl-1-[4-(2-methylidenebutoxy)phenyl]propan-2-amine
CID 115494827
N-methyl-1-[4-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]propan-2-amine
CID 115494634
1-[4-[(4-bromophenyl)methoxy]phenyl]-N-methylpropan-2-amine
CID 115494771
1-[[4-[2-(methylamino)propyl]phenoxy]methyl]cyclopentan-1-ol
CID 115494643
1-[4-(3-ethylsulfonylpropoxy)phenyl]-N-methylpropan-2-amine
CID 115494825
2-methyl-1-[4-[3-(propylamino)butyl]phenoxy]propan-2-ol
CID 60881953
ethyl 2-[4-[2-(methylamino)propyl]phenoxy]acetate
CID 113322952
1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-methylpropan-2-amine
CID 115494579

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-[2-(methylamino)propyl]phenoxy]propan-2-ol?
The IUPAC name of 2-methyl-1-[4-[2-(methylamino)propyl]phenoxy]propan-2-ol (CID 115494621) is 2-methyl-1-[4-[2-(methylamino)propyl]phenoxy]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[4-[2-(methylamino)propyl]phenoxy]propan-2-ol?
The canonical SMILES for 2-methyl-1-[4-[2-(methylamino)propyl]phenoxy]propan-2-ol is CNC(C)Cc1ccc(OCC(C)(C)O)cc1.
What is the InChIKey of 2-methyl-1-[4-[2-(methylamino)propyl]phenoxy]propan-2-ol?
The InChIKey is MTJLKLRLVZESFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-11(15-4)9-12-5-7-13(8-6-12)17-10-14(2,3)16/h5-8,11,15-16H,9-10H2,1-4H3.
What are the key properties of 2-methyl-1-[4-[2-(methylamino)propyl]phenoxy]propan-2-ol?
2-methyl-1-[4-[2-(methylamino)propyl]phenoxy]propan-2-ol has a molecular weight of 237.34 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-[2-(methylamino)propyl]phenoxy]propan-2-ol is sourced from PubChem (CID 115494621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).