3-(methylamino)-3-(2-methyl-4-phenoxyphenyl)propan-1-ol

C17H21NO2 — CID 83937241

IUPAC3-(methylamino)-3-(2-methyl-4-phenoxyphenyl)propan-1-ol
SMILESCNC(CCO)c1ccc(Oc2ccccc2)cc1C
InChIInChI=1S/C17H21NO2/c1-13-12-15(20-14-6-4-3-5-7-14)8-9-16(13)17(18-2)10-11-19/h3-9,12,17-19H,10-11H2,1-2H3
InChIKeySWBBIHXNLZKOIY-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.43
Rot. Bonds6

About 3-(methylamino)-3-(2-methyl-4-phenoxyphenyl)propan-1-ol

3-(methylamino)-3-(2-methyl-4-phenoxyphenyl)propan-1-ol (PubChem CID 83937241) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-(methylamino)-3-(2-methyl-4-phenoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(methylamino)-3-(2-methyl-4-phenoxyphenyl)propan-1-ol
PubChem CID83937241
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name3-(methylamino)-3-(2-methyl-4-phenoxyphenyl)propan-1-ol
SMILESCNC(CCO)c1ccc(Oc2ccccc2)cc1C
InChIInChI=1S/C17H21NO2/c1-13-12-15(20-14-6-4-3-5-7-14)8-9-16(13)17(18-2)10-11-19/h3-9,12,17-19H,10-11H2,1-2H3
InChIKeySWBBIHXNLZKOIY-UHFFFAOYSA-N
XLogP3.43
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methyl-4-phenoxyphenyl)ethanol
CID 82264634
1-(4-bromobutan-2-yl)-2-methyl-4-phenoxybenzene
CID 83937210
3-(2,5-dimethylphenyl)-3-(methylamino)propan-1-ol
CID 64812187
3-methylbutan-1-ol;phenoxybenzene
CID 175265119
1-(4-methoxy-2-methylphenyl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 43482757
6-(2-methyl-4-phenoxyphenyl)heptane-3,4-diol
CID 83937319
N-methyl-1-(4-phenoxyphenyl)butan-1-amine
CID 19069357
(1R)-N-methyl-1-(4-phenoxyphenyl)butan-1-amine
CID 54006451
4-(2-methyl-4-phenoxyphenyl)heptan-1-amine
CID 83937212
2-methyl-4-phenoxyphenol
CID 23089676
3-(2-bromophenyl)-3-(methylamino)propan-1-ol
CID 64815328
2-methyl-1-[(Z)-non-6-en-4-yl]-4-phenoxybenzene
CID 83937295

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-3-(2-methyl-4-phenoxyphenyl)propan-1-ol?
The IUPAC name of 3-(methylamino)-3-(2-methyl-4-phenoxyphenyl)propan-1-ol (CID 83937241) is 3-(methylamino)-3-(2-methyl-4-phenoxyphenyl)propan-1-ol.
What is the SMILES notation for 3-(methylamino)-3-(2-methyl-4-phenoxyphenyl)propan-1-ol?
The canonical SMILES for 3-(methylamino)-3-(2-methyl-4-phenoxyphenyl)propan-1-ol is CNC(CCO)c1ccc(Oc2ccccc2)cc1C.
What is the InChIKey of 3-(methylamino)-3-(2-methyl-4-phenoxyphenyl)propan-1-ol?
The InChIKey is SWBBIHXNLZKOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-13-12-15(20-14-6-4-3-5-7-14)8-9-16(13)17(18-2)10-11-19/h3-9,12,17-19H,10-11H2,1-2H3.
What are the key properties of 3-(methylamino)-3-(2-methyl-4-phenoxyphenyl)propan-1-ol?
3-(methylamino)-3-(2-methyl-4-phenoxyphenyl)propan-1-ol has a molecular weight of 271.36 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-3-(2-methyl-4-phenoxyphenyl)propan-1-ol is sourced from PubChem (CID 83937241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).