1-[(2,4-dimethoxyphenyl)methylamino]-3-ethoxypropan-2-ol

C14H23NO4 — CID 63931950

IUPAC1-[(2,4-dimethoxyphenyl)methylamino]-3-ethoxypropan-2-ol
SMILESCCOCC(O)CNCc1ccc(OC)cc1OC
InChIInChI=1S/C14H23NO4/c1-4-19-10-12(16)9-15-8-11-5-6-13(17-2)7-14(11)18-3/h5-7,12,15-16H,4,8-10H2,1-3H3
InChIKeyBUIXMKGJHVIVPO-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.19
Rot. Bonds9

About 1-[(2,4-dimethoxyphenyl)methylamino]-3-ethoxypropan-2-ol

1-[(2,4-dimethoxyphenyl)methylamino]-3-ethoxypropan-2-ol (PubChem CID 63931950) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-[(2,4-dimethoxyphenyl)methylamino]-3-ethoxypropan-2-ol.

Molecular Properties

Compound Name1-[(2,4-dimethoxyphenyl)methylamino]-3-ethoxypropan-2-ol
PubChem CID63931950
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name1-[(2,4-dimethoxyphenyl)methylamino]-3-ethoxypropan-2-ol
SMILESCCOCC(O)CNCc1ccc(OC)cc1OC
InChIInChI=1S/C14H23NO4/c1-4-19-10-12(16)9-15-8-11-5-6-13(17-2)7-14(11)18-3/h5-7,12,15-16H,4,8-10H2,1-3H3
InChIKeyBUIXMKGJHVIVPO-UHFFFAOYSA-N
XLogP1.19
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-3-ethoxypropan-1-amine
CID 4105922
1-[(2,5-dimethoxyphenyl)methylamino]pentan-2-ol
CID 111118852
2-[(2,4-dimethoxyphenyl)methylamino]-1-(4-fluorophenyl)ethanol
CID 73211515
1-(2-ethoxyethoxy)-3-[(3-methoxyphenyl)methylamino]propan-2-ol
CID 60632288
methyl (Z)-2-[4-[3-[(2,4-dimethoxyphenyl)methylamino]-2-hydroxypropoxy]phenyl]-3-phenylprop-2-enoate
CID 68772979
1-ethoxy-3-[(2-methoxy-3-pyridinyl)methylamino]propan-2-ol
CID 63933376
1-ethoxy-3-[2-(3-methoxyphenyl)ethylamino]propan-2-ol
CID 107093297
2-[[(2,4-dimethoxyphenyl)methylamino]methyl]phenol
CID 62732592
(2R)-1-amino-3-[(2,4-dimethoxyphenyl)methoxy]propan-2-ol
CID 97180181
2-[(2,4-dimethoxyphenyl)methylamino]ethanethiol
CID 115223928
(2S)-3-amino-1-[(2,4-dimethoxyphenyl)methylamino]-4-phenylbutan-2-ol
CID 142662303
methyl 2-[4-[3-[(2,4-dimethoxyphenyl)methylamino]-2-hydroxypropoxy]phenyl]-3-(4-fluorophenyl)prop-2-enoate
CID 68773593

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethoxyphenyl)methylamino]-3-ethoxypropan-2-ol?
The IUPAC name of 1-[(2,4-dimethoxyphenyl)methylamino]-3-ethoxypropan-2-ol (CID 63931950) is 1-[(2,4-dimethoxyphenyl)methylamino]-3-ethoxypropan-2-ol.
What is the SMILES notation for 1-[(2,4-dimethoxyphenyl)methylamino]-3-ethoxypropan-2-ol?
The canonical SMILES for 1-[(2,4-dimethoxyphenyl)methylamino]-3-ethoxypropan-2-ol is CCOCC(O)CNCc1ccc(OC)cc1OC.
What is the InChIKey of 1-[(2,4-dimethoxyphenyl)methylamino]-3-ethoxypropan-2-ol?
The InChIKey is BUIXMKGJHVIVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-4-19-10-12(16)9-15-8-11-5-6-13(17-2)7-14(11)18-3/h5-7,12,15-16H,4,8-10H2,1-3H3.
What are the key properties of 1-[(2,4-dimethoxyphenyl)methylamino]-3-ethoxypropan-2-ol?
1-[(2,4-dimethoxyphenyl)methylamino]-3-ethoxypropan-2-ol has a molecular weight of 269.34 g/mol, XLogP of 1.19, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethoxyphenyl)methylamino]-3-ethoxypropan-2-ol is sourced from PubChem (CID 63931950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).