1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-(methylamino)propan-1-ol

C13H20ClNO2 — CID 82300220

IUPAC1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-(methylamino)propan-1-ol
SMILESCNC(C)C(O)c1c(OC)cc(C)c(Cl)c1C
InChIInChI=1S/C13H20ClNO2/c1-7-6-10(17-5)11(8(2)12(7)14)13(16)9(3)15-4/h6,9,13,15-16H,1-5H3
InChIKeyZLMSTCMUJLQRJV-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.61
Rot. Bonds4

About 1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-(methylamino)propan-1-ol

1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-(methylamino)propan-1-ol (PubChem CID 82300220) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is 1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-(methylamino)propan-1-ol.

Molecular Properties

Compound Name1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-(methylamino)propan-1-ol
PubChem CID82300220
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-(methylamino)propan-1-ol
SMILESCNC(C)C(O)c1c(OC)cc(C)c(Cl)c1C
InChIInChI=1S/C13H20ClNO2/c1-7-6-10(17-5)11(8(2)12(7)14)13(16)9(3)15-4/h6,9,13,15-16H,1-5H3
InChIKeyZLMSTCMUJLQRJV-UHFFFAOYSA-N
XLogP2.61
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-methylethanamine
CID 116952629
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-(methylamino)acetic acid
CID 82483238
1-(3-chloro-6-methoxy-2,4-dimethylphenyl)propane-1,3-diol
CID 82294523
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)propanehydrazide
CID 116843880
2-chloro-1-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethanamine
CID 116937561
3-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-methylbutanethioamide
CID 83938124
3-(3-chloro-6-methoxy-2,4-dimethylphenyl)-3-(dimethylamino)-2-methylpropan-1-ol
CID 83938113
2-(methylamino)-1-(3,4,5-trimethoxyphenyl)propan-1-ol
CID 112514738
1-[2-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethylamino]propan-2-ol
CID 112513727
1-(4-tert-butyl-2,6-dimethylphenyl)-2-(methylamino)propan-1-ol
CID 82297228
2-amino-N-(3-chloro-6-methoxy-2,4-dimethylphenyl)propanamide
CID 115152223
N'-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-methylmethanediamine
CID 115226535

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-(methylamino)propan-1-ol?
The IUPAC name of 1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-(methylamino)propan-1-ol (CID 82300220) is 1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-(methylamino)propan-1-ol.
What is the SMILES notation for 1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-(methylamino)propan-1-ol?
The canonical SMILES for 1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-(methylamino)propan-1-ol is CNC(C)C(O)c1c(OC)cc(C)c(Cl)c1C.
What is the InChIKey of 1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-(methylamino)propan-1-ol?
The InChIKey is ZLMSTCMUJLQRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO2/c1-7-6-10(17-5)11(8(2)12(7)14)13(16)9(3)15-4/h6,9,13,15-16H,1-5H3.
What are the key properties of 1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-(methylamino)propan-1-ol?
1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-(methylamino)propan-1-ol has a molecular weight of 257.76 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-(methylamino)propan-1-ol is sourced from PubChem (CID 82300220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).