1-(5-chloro-2,3-dimethoxy-6-methylphenyl)-2-methylpropan-2-amine

C13H20ClNO2 — CID 117398186

IUPAC1-(5-chloro-2,3-dimethoxy-6-methylphenyl)-2-methylpropan-2-amine
SMILESCOc1cc(Cl)c(C)c(CC(C)(C)N)c1OC
InChIInChI=1S/C13H20ClNO2/c1-8-9(7-13(2,3)15)12(17-5)11(16-4)6-10(8)14/h6H,7,15H2,1-5H3
InChIKeyBCPABBMGYFUVKA-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.95
Rot. Bonds4

About 1-(5-chloro-2,3-dimethoxy-6-methylphenyl)-2-methylpropan-2-amine

1-(5-chloro-2,3-dimethoxy-6-methylphenyl)-2-methylpropan-2-amine (PubChem CID 117398186) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is 1-(5-chloro-2,3-dimethoxy-6-methylphenyl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(5-chloro-2,3-dimethoxy-6-methylphenyl)-2-methylpropan-2-amine
PubChem CID117398186
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name1-(5-chloro-2,3-dimethoxy-6-methylphenyl)-2-methylpropan-2-amine
SMILESCOc1cc(Cl)c(C)c(CC(C)(C)N)c1OC
InChIInChI=1S/C13H20ClNO2/c1-8-9(7-13(2,3)15)12(17-5)11(16-4)6-10(8)14/h6H,7,15H2,1-5H3
InChIKeyBCPABBMGYFUVKA-UHFFFAOYSA-N
XLogP2.95
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-2,3-dimethoxy-6-methylphenyl)ethanamine
CID 84693141
3-(5-chloro-2,3-dimethoxy-6-methylphenyl)propan-1-amine
CID 117361452
1-(5-chloro-3-methoxy-2,4-dimethylphenyl)-2-methylpropan-2-amine
CID 117356697
3-(5-chloro-2,3-dimethoxy-6-methylphenyl)propan-1-ol
CID 117363862
1-(5-chloro-2,4-dimethoxy-3-methylphenyl)-2-methylpropan-2-amine
CID 117398192
1-(3-chloro-2-fluoro-6-methoxy-5-methylphenyl)-2-methylpropan-2-amine
CID 117366838
1-(2-chloro-3-fluoro-6-methoxy-5-methylphenyl)-2-methylpropan-2-amine
CID 117366841
O-[(3-chloro-2,5,6-trimethoxyphenyl)methyl]hydroxylamine
CID 117372417
1-(2-methoxy-4,6-dimethylphenyl)-2-methylpropan-2-amine
CID 82470482
1-(3-chloro-4-ethyl-5-methoxyphenyl)-2-methylpropan-2-amine
CID 117356705
1-(3-chloro-4,5-dimethoxy-2-propan-2-ylphenyl)-2-methylpropan-2-amine
CID 117460468
1-(3,4-dimethoxy-2-methylphenyl)-2-methylpropan-2-amine
CID 117320489

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,3-dimethoxy-6-methylphenyl)-2-methylpropan-2-amine?
The IUPAC name of 1-(5-chloro-2,3-dimethoxy-6-methylphenyl)-2-methylpropan-2-amine (CID 117398186) is 1-(5-chloro-2,3-dimethoxy-6-methylphenyl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(5-chloro-2,3-dimethoxy-6-methylphenyl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(5-chloro-2,3-dimethoxy-6-methylphenyl)-2-methylpropan-2-amine is COc1cc(Cl)c(C)c(CC(C)(C)N)c1OC.
What is the InChIKey of 1-(5-chloro-2,3-dimethoxy-6-methylphenyl)-2-methylpropan-2-amine?
The InChIKey is BCPABBMGYFUVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO2/c1-8-9(7-13(2,3)15)12(17-5)11(16-4)6-10(8)14/h6H,7,15H2,1-5H3.
What are the key properties of 1-(5-chloro-2,3-dimethoxy-6-methylphenyl)-2-methylpropan-2-amine?
1-(5-chloro-2,3-dimethoxy-6-methylphenyl)-2-methylpropan-2-amine has a molecular weight of 257.76 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,3-dimethoxy-6-methylphenyl)-2-methylpropan-2-amine is sourced from PubChem (CID 117398186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).