1-(2-aminophenoxy)-3-(N-methylanilino)propan-2-ol

C16H20N2O2 — CID 43364477

IUPAC1-(2-aminophenoxy)-3-(N-methylanilino)propan-2-ol
SMILESCN(CC(O)COc1ccccc1N)c1ccccc1
InChIInChI=1S/C16H20N2O2/c1-18(13-7-3-2-4-8-13)11-14(19)12-20-16-10-6-5-9-15(16)17/h2-10,14,19H,11-12,17H2,1H3
InChIKeyGHOWKDMLCJJOCU-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.14
Rot. Bonds6

About 1-(2-aminophenoxy)-3-(N-methylanilino)propan-2-ol

1-(2-aminophenoxy)-3-(N-methylanilino)propan-2-ol (PubChem CID 43364477) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-(2-aminophenoxy)-3-(N-methylanilino)propan-2-ol.

Molecular Properties

Compound Name1-(2-aminophenoxy)-3-(N-methylanilino)propan-2-ol
PubChem CID43364477
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-(2-aminophenoxy)-3-(N-methylanilino)propan-2-ol
SMILESCN(CC(O)COc1ccccc1N)c1ccccc1
InChIInChI=1S/C16H20N2O2/c1-18(13-7-3-2-4-8-13)11-14(19)12-20-16-10-6-5-9-15(16)17/h2-10,14,19H,11-12,17H2,1H3
InChIKeyGHOWKDMLCJJOCU-UHFFFAOYSA-N
XLogP2.14
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-[4-[(2R)-2-hydroxy-3-(N-methylanilino)propoxy]phenoxy]-3-(N-methylanilino)propan-2-ol
CID 1232760
(2S)-1-(N-methylanilino)-3-phenoxypropan-2-ol
CID 10934135
1-(2-aminophenoxy)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-2-ol
CID 104551272
1-(2-aminophenoxy)-3-[bis(2-hydroxyethyl)amino]propan-2-ol
CID 61244457
2-[[3-(2-aminophenoxy)-2-hydroxypropyl]-methylamino]-N-methylacetamide
CID 43374456
1-(2-aminophenoxy)-3-(3-methylbutoxy)propan-2-ol
CID 62269721
1-(2-aminophenoxy)-3-(2-fluorophenoxy)propan-2-ol
CID 62269719
1-(2-aminophenoxy)-3-(2-iodophenoxy)propan-2-ol
CID 62268837
1-(2-aminophenoxy)-3-pentoxypropan-2-ol
CID 62268656
1-(N-methylanilino)-3-(4-nitrophenoxy)propan-2-ol
CID 5000056
1-(2-aminophenoxy)-3-hexoxypropan-2-ol
CID 62267422
(2R)-1-[methyl-[2-(N-methylanilino)ethyl]amino]-3-phenoxypropan-2-ol
CID 98787204

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenoxy)-3-(N-methylanilino)propan-2-ol?
The IUPAC name of 1-(2-aminophenoxy)-3-(N-methylanilino)propan-2-ol (CID 43364477) is 1-(2-aminophenoxy)-3-(N-methylanilino)propan-2-ol.
What is the SMILES notation for 1-(2-aminophenoxy)-3-(N-methylanilino)propan-2-ol?
The canonical SMILES for 1-(2-aminophenoxy)-3-(N-methylanilino)propan-2-ol is CN(CC(O)COc1ccccc1N)c1ccccc1.
What is the InChIKey of 1-(2-aminophenoxy)-3-(N-methylanilino)propan-2-ol?
The InChIKey is GHOWKDMLCJJOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-18(13-7-3-2-4-8-13)11-14(19)12-20-16-10-6-5-9-15(16)17/h2-10,14,19H,11-12,17H2,1H3.
What are the key properties of 1-(2-aminophenoxy)-3-(N-methylanilino)propan-2-ol?
1-(2-aminophenoxy)-3-(N-methylanilino)propan-2-ol has a molecular weight of 272.35 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenoxy)-3-(N-methylanilino)propan-2-ol is sourced from PubChem (CID 43364477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).