3-(methylamino)-1-phenoxy-1-phenylpropan-2-ol

C16H19NO2 — CID 23458382

IUPAC3-(methylamino)-1-phenoxy-1-phenylpropan-2-ol
SMILESCNCC(O)C(Oc1ccccc1)c1ccccc1
InChIInChI=1S/C16H19NO2/c1-17-12-15(18)16(13-8-4-2-5-9-13)19-14-10-6-3-7-11-14/h2-11,15-18H,12H2,1H3
InChIKeyZGLQATIREDVCAS-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.39
Rot. Bonds6

About 3-(methylamino)-1-phenoxy-1-phenylpropan-2-ol

3-(methylamino)-1-phenoxy-1-phenylpropan-2-ol (PubChem CID 23458382) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 3-(methylamino)-1-phenoxy-1-phenylpropan-2-ol.

Molecular Properties

Compound Name3-(methylamino)-1-phenoxy-1-phenylpropan-2-ol
PubChem CID23458382
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name3-(methylamino)-1-phenoxy-1-phenylpropan-2-ol
SMILESCNCC(O)C(Oc1ccccc1)c1ccccc1
InChIInChI=1S/C16H19NO2/c1-17-12-15(18)16(13-8-4-2-5-9-13)19-14-10-6-3-7-11-14/h2-11,15-18H,12H2,1H3
InChIKeyZGLQATIREDVCAS-UHFFFAOYSA-N
XLogP2.39
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dichlorophenyl)-3-(methylamino)-1-phenoxypropan-2-ol
CID 23458426
3-(methylamino)-1-phenoxy-1-pyridin-2-ylpropan-2-ol
CID 90425937
(1S,2R)-1-(1-benzothiophen-7-yloxy)-3-(methylamino)-1-phenylpropan-2-ol
CID 58685501
(1S,2R)-1-(1-benzothiophen-4-yloxy)-3-(methylamino)-1-phenylpropan-2-ol;hydrochloride
CID 69274798
1-phenoxyethanol
CID 66611531
1-(3-methoxy-N-methylanilino)-3-(methylamino)-1-phenylpropan-2-ol
CID 24900270
(1R,2S)-1-(4-methoxyphenoxy)-1-phenylpropan-2-ol
CID 135066400
1-phenoxyethanol;trihydrate
CID 175915128
(1S,2R)-1-(4-methoxy-N-methylanilino)-3-(methylamino)-1-phenylpropan-2-ol
CID 42629242
N-benzyl-1-phenoxy-1-phenylpropan-2-amine;hydrochloride
CID 117068240
(2S,3R)-3-(4-nitrophenoxy)-3-phenylpropane-1,2-diol
CID 102380116
3-(methylamino)-1-[3-(trifluoromethoxy)phenyl]propane-1,2-diol
CID 171858529

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-1-phenoxy-1-phenylpropan-2-ol?
The IUPAC name of 3-(methylamino)-1-phenoxy-1-phenylpropan-2-ol (CID 23458382) is 3-(methylamino)-1-phenoxy-1-phenylpropan-2-ol.
What is the SMILES notation for 3-(methylamino)-1-phenoxy-1-phenylpropan-2-ol?
The canonical SMILES for 3-(methylamino)-1-phenoxy-1-phenylpropan-2-ol is CNCC(O)C(Oc1ccccc1)c1ccccc1.
What is the InChIKey of 3-(methylamino)-1-phenoxy-1-phenylpropan-2-ol?
The InChIKey is ZGLQATIREDVCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-17-12-15(18)16(13-8-4-2-5-9-13)19-14-10-6-3-7-11-14/h2-11,15-18H,12H2,1H3.
What are the key properties of 3-(methylamino)-1-phenoxy-1-phenylpropan-2-ol?
3-(methylamino)-1-phenoxy-1-phenylpropan-2-ol has a molecular weight of 257.33 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-1-phenoxy-1-phenylpropan-2-ol is sourced from PubChem (CID 23458382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).