1-[(2-chloro-5-ethoxy-4-methoxyphenyl)methylamino]propan-2-ol

C13H20ClNO3 — CID 66532396

IUPAC1-[(2-chloro-5-ethoxy-4-methoxyphenyl)methylamino]propan-2-ol
SMILESCCOc1cc(CNCC(C)O)c(Cl)cc1OC
InChIInChI=1S/C13H20ClNO3/c1-4-18-13-5-10(8-15-7-9(2)16)11(14)6-12(13)17-3/h5-6,9,15-16H,4,7-8H2,1-3H3
InChIKeyOMMNXTPEZTYIHY-UHFFFAOYSA-N
MW273.76 g/mol
LogP2.22
Rot. Bonds7

About 1-[(2-chloro-5-ethoxy-4-methoxyphenyl)methylamino]propan-2-ol

1-[(2-chloro-5-ethoxy-4-methoxyphenyl)methylamino]propan-2-ol (PubChem CID 66532396) has the molecular formula C13H20ClNO3 and a molecular weight of 273.76 g/mol. Its IUPAC name is 1-[(2-chloro-5-ethoxy-4-methoxyphenyl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[(2-chloro-5-ethoxy-4-methoxyphenyl)methylamino]propan-2-ol
PubChem CID66532396
Molecular FormulaC13H20ClNO3
Molecular Weight273.76 g/mol
Exact Mass273.11
IUPAC Name1-[(2-chloro-5-ethoxy-4-methoxyphenyl)methylamino]propan-2-ol
SMILESCCOc1cc(CNCC(C)O)c(Cl)cc1OC
InChIInChI=1S/C13H20ClNO3/c1-4-18-13-5-10(8-15-7-9(2)16)11(14)6-12(13)17-3/h5-6,9,15-16H,4,7-8H2,1-3H3
InChIKeyOMMNXTPEZTYIHY-UHFFFAOYSA-N
XLogP2.22
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]-3-methylbutan-1-amine
CID 66532371
1-[[2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxyphenyl]methylamino]propan-2-ol
CID 66531708
1-[[2-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 66531113
N-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]butan-2-amine
CID 66532430
N-[(2-chloro-4-ethoxy-5-methoxyphenyl)methyl]prop-2-en-1-amine
CID 66530458
(2S)-1-[(2,4,5-trimethoxyphenyl)methylamino]propan-2-ol
CID 51434639
N-[(2-chloro-4-ethoxy-5-methoxyphenyl)methyl]-3-methoxypropan-1-amine
CID 66530902
2-[5-chloro-2-ethoxy-4-[(2-hydroxypropylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 66531999
(2S)-1-[(3-ethoxy-4-methoxyphenyl)methylamino]propan-2-ol
CID 51432607
1-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]propan-2-ol
CID 4717439
N-[(2-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-(2-methoxyphenyl)ethanamine
CID 66530888
2-[(2-chloro-4-ethoxy-5-methoxyphenyl)methylamino]-4-methylpentanoic acid
CID 66530968

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-5-ethoxy-4-methoxyphenyl)methylamino]propan-2-ol?
The IUPAC name of 1-[(2-chloro-5-ethoxy-4-methoxyphenyl)methylamino]propan-2-ol (CID 66532396) is 1-[(2-chloro-5-ethoxy-4-methoxyphenyl)methylamino]propan-2-ol.
What is the SMILES notation for 1-[(2-chloro-5-ethoxy-4-methoxyphenyl)methylamino]propan-2-ol?
The canonical SMILES for 1-[(2-chloro-5-ethoxy-4-methoxyphenyl)methylamino]propan-2-ol is CCOc1cc(CNCC(C)O)c(Cl)cc1OC.
What is the InChIKey of 1-[(2-chloro-5-ethoxy-4-methoxyphenyl)methylamino]propan-2-ol?
The InChIKey is OMMNXTPEZTYIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO3/c1-4-18-13-5-10(8-15-7-9(2)16)11(14)6-12(13)17-3/h5-6,9,15-16H,4,7-8H2,1-3H3.
What are the key properties of 1-[(2-chloro-5-ethoxy-4-methoxyphenyl)methylamino]propan-2-ol?
1-[(2-chloro-5-ethoxy-4-methoxyphenyl)methylamino]propan-2-ol has a molecular weight of 273.76 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-5-ethoxy-4-methoxyphenyl)methylamino]propan-2-ol is sourced from PubChem (CID 66532396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).