1-methoxy-3-(4-methoxy-N-methylanilino)propan-2-ol

C12H19NO3 — CID 3725441

IUPAC1-methoxy-3-(4-methoxy-N-methylanilino)propan-2-ol
SMILESCOCC(O)CN(C)c1ccc(OC)cc1
InChIInChI=1S/C12H19NO3/c1-13(8-11(14)9-15-2)10-4-6-12(16-3)7-5-10/h4-7,11,14H,8-9H2,1-3H3
InChIKeyLOBJORACDSXKTD-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.14
Rot. Bonds6

About 1-methoxy-3-(4-methoxy-N-methylanilino)propan-2-ol

1-methoxy-3-(4-methoxy-N-methylanilino)propan-2-ol (PubChem CID 3725441) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-methoxy-3-(4-methoxy-N-methylanilino)propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-(4-methoxy-N-methylanilino)propan-2-ol
PubChem CID3725441
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name1-methoxy-3-(4-methoxy-N-methylanilino)propan-2-ol
SMILESCOCC(O)CN(C)c1ccc(OC)cc1
InChIInChI=1S/C12H19NO3/c1-13(8-11(14)9-15-2)10-4-6-12(16-3)7-5-10/h4-7,11,14H,8-9H2,1-3H3
InChIKeyLOBJORACDSXKTD-UHFFFAOYSA-N
XLogP1.14
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(4-amino-3-methoxy-N-methylanilino)-3-methoxypropan-2-ol
CID 63676060
(2R)-1-(4-fluoro-N-methylanilino)-3-[(4-methoxyphenyl)methoxy]propan-2-ol
CID 52528617
1-(4-ethylsulfonyl-N-methylanilino)-3-methoxypropan-2-ol
CID 54999146
N-(2,2-dimethoxyethyl)-4-methoxy-N-methylaniline
CID 66224043
(2S)-1-[4-[(2R)-2-hydroxy-3-(N-methylanilino)propoxy]phenoxy]-3-(N-methylanilino)propan-2-ol
CID 1232760
1-butoxy-3-(N-(3-butoxy-2-hydroxypropyl)-4-methoxyanilino)propan-2-ol
CID 162141562
(2S)-1-methoxy-3-(4-methoxyphenyl)propan-2-ol
CID 101107331
4-[(2-hydroxy-3-methoxypropyl)-methylamino]-2-methylbenzoic acid
CID 113400011
1-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]-methylamino]-3-methoxypropan-2-ol
CID 83121930
N-(2-hydroxy-3-methoxypropyl)-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 76911057
2-chloro-4-[(2-hydroxy-3-methoxypropyl)-methylamino]benzonitrile
CID 55152425
(2S)-1-(N-methylanilino)-3-phenoxypropan-2-ol
CID 10934135

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(4-methoxy-N-methylanilino)propan-2-ol?
The IUPAC name of 1-methoxy-3-(4-methoxy-N-methylanilino)propan-2-ol (CID 3725441) is 1-methoxy-3-(4-methoxy-N-methylanilino)propan-2-ol.
What is the SMILES notation for 1-methoxy-3-(4-methoxy-N-methylanilino)propan-2-ol?
The canonical SMILES for 1-methoxy-3-(4-methoxy-N-methylanilino)propan-2-ol is COCC(O)CN(C)c1ccc(OC)cc1.
What is the InChIKey of 1-methoxy-3-(4-methoxy-N-methylanilino)propan-2-ol?
The InChIKey is LOBJORACDSXKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-13(8-11(14)9-15-2)10-4-6-12(16-3)7-5-10/h4-7,11,14H,8-9H2,1-3H3.
What are the key properties of 1-methoxy-3-(4-methoxy-N-methylanilino)propan-2-ol?
1-methoxy-3-(4-methoxy-N-methylanilino)propan-2-ol has a molecular weight of 225.29 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(4-methoxy-N-methylanilino)propan-2-ol is sourced from PubChem (CID 3725441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).