3-(4-chloro-2,5-dimethoxyphenyl)-3-(methylamino)propan-1-ol

C12H18ClNO3 — CID 83943179

IUPAC3-(4-chloro-2,5-dimethoxyphenyl)-3-(methylamino)propan-1-ol
SMILESCNC(CCO)c1cc(OC)c(Cl)cc1OC
InChIInChI=1S/C12H18ClNO3/c1-14-10(4-5-15)8-6-12(17-3)9(13)7-11(8)16-2/h6-7,10,14-15H,4-5H2,1-3H3
InChIKeyAMNNDTKLHUXWKT-UHFFFAOYSA-N
MW259.73 g/mol
LogP2.00
Rot. Bonds6

About 3-(4-chloro-2,5-dimethoxyphenyl)-3-(methylamino)propan-1-ol

3-(4-chloro-2,5-dimethoxyphenyl)-3-(methylamino)propan-1-ol (PubChem CID 83943179) has the molecular formula C12H18ClNO3 and a molecular weight of 259.73 g/mol. Its IUPAC name is 3-(4-chloro-2,5-dimethoxyphenyl)-3-(methylamino)propan-1-ol.

Molecular Properties

Compound Name3-(4-chloro-2,5-dimethoxyphenyl)-3-(methylamino)propan-1-ol
PubChem CID83943179
Molecular FormulaC12H18ClNO3
Molecular Weight259.73 g/mol
Exact Mass259.10
IUPAC Name3-(4-chloro-2,5-dimethoxyphenyl)-3-(methylamino)propan-1-ol
SMILESCNC(CCO)c1cc(OC)c(Cl)cc1OC
InChIInChI=1S/C12H18ClNO3/c1-14-10(4-5-15)8-6-12(17-3)9(13)7-11(8)16-2/h6-7,10,14-15H,4-5H2,1-3H3
InChIKeyAMNNDTKLHUXWKT-UHFFFAOYSA-N
XLogP2.00
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.73
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,5-dimethoxy-3,4-dimethylphenyl)-3-(methylamino)propan-1-ol
CID 116952894
2-amino-1-(4-chloro-2,5-dimethoxyphenyl)butane-1,4-diol
CID 83943166
3-[2-methoxy-5-(trifluoromethyl)phenyl]-3-(methylamino)propan-1-ol
CID 83921064
3-(2,5-dichlorophenyl)-3-(methylamino)propan-1-ol
CID 64813241
3-(5-chloro-4-methyl-2-propoxyphenyl)-3-(methylamino)propan-1-ol
CID 83937747
1-(4-chloro-2,5-dimethoxyphenyl)propan-1-ol
CID 82268059
4-amino-4-(4-chloro-2,5-dimethoxyphenyl)butanoic acid
CID 117436981
4-(2,4-dimethoxyphenyl)-4-(methylamino)butan-1-ol
CID 116952940
1-(5-chloro-2-methoxyphenyl)-1-N-methylpentane-1,4-diamine
CID 116949835
1-(5-chloro-2-methoxyphenyl)-N-methylpropane-1,3-diamine
CID 116948362
4-amino-1-(5-chloro-2,4-dimethoxyphenyl)-2-(methylamino)butan-1-ol
CID 83943293
(3S)-3-amino-3-(2,4,5-trimethoxyphenyl)propan-1-ol;hydrochloride
CID 171219089

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2,5-dimethoxyphenyl)-3-(methylamino)propan-1-ol?
The IUPAC name of 3-(4-chloro-2,5-dimethoxyphenyl)-3-(methylamino)propan-1-ol (CID 83943179) is 3-(4-chloro-2,5-dimethoxyphenyl)-3-(methylamino)propan-1-ol.
What is the SMILES notation for 3-(4-chloro-2,5-dimethoxyphenyl)-3-(methylamino)propan-1-ol?
The canonical SMILES for 3-(4-chloro-2,5-dimethoxyphenyl)-3-(methylamino)propan-1-ol is CNC(CCO)c1cc(OC)c(Cl)cc1OC.
What is the InChIKey of 3-(4-chloro-2,5-dimethoxyphenyl)-3-(methylamino)propan-1-ol?
The InChIKey is AMNNDTKLHUXWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO3/c1-14-10(4-5-15)8-6-12(17-3)9(13)7-11(8)16-2/h6-7,10,14-15H,4-5H2,1-3H3.
What are the key properties of 3-(4-chloro-2,5-dimethoxyphenyl)-3-(methylamino)propan-1-ol?
3-(4-chloro-2,5-dimethoxyphenyl)-3-(methylamino)propan-1-ol has a molecular weight of 259.73 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2,5-dimethoxyphenyl)-3-(methylamino)propan-1-ol is sourced from PubChem (CID 83943179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).