1-(5-chloro-2,4-dimethoxy-3-methylphenyl)-2-methylpropan-2-amine

C13H20ClNO2 — CID 117398192

IUPAC1-(5-chloro-2,4-dimethoxy-3-methylphenyl)-2-methylpropan-2-amine
SMILESCOc1c(Cl)cc(CC(C)(C)N)c(OC)c1C
InChIInChI=1S/C13H20ClNO2/c1-8-11(16-4)9(7-13(2,3)15)6-10(14)12(8)17-5/h6H,7,15H2,1-5H3
InChIKeyKUVAUMXOASSPTK-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.95
Rot. Bonds4

About 1-(5-chloro-2,4-dimethoxy-3-methylphenyl)-2-methylpropan-2-amine

1-(5-chloro-2,4-dimethoxy-3-methylphenyl)-2-methylpropan-2-amine (PubChem CID 117398192) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is 1-(5-chloro-2,4-dimethoxy-3-methylphenyl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(5-chloro-2,4-dimethoxy-3-methylphenyl)-2-methylpropan-2-amine
PubChem CID117398192
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name1-(5-chloro-2,4-dimethoxy-3-methylphenyl)-2-methylpropan-2-amine
SMILESCOc1c(Cl)cc(CC(C)(C)N)c(OC)c1C
InChIInChI=1S/C13H20ClNO2/c1-8-11(16-4)9(7-13(2,3)15)6-10(14)12(8)17-5/h6H,7,15H2,1-5H3
InChIKeyKUVAUMXOASSPTK-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

1-(5-chloro-3-methoxy-2,4-dimethylphenyl)-2-methylpropan-2-amine
CID 117356697
1-(5-bromo-2,4-dimethoxy-3-methylphenyl)-2-methylpropan-2-amine
CID 117486842
1-(3-chloro-5-ethyl-2-methoxyphenyl)-2-methylpropan-2-amine
CID 117356702
1,5-dichloro-2,4-dimethoxy-3-methylbenzene
CID 58961638
1-(3,4-dimethoxy-2,5-dimethylphenyl)-2-methylpropan-2-amine
CID 117347561
1-(5-chloro-2,3-dimethoxy-6-methylphenyl)-2-methylpropan-2-amine
CID 117398186
4-(2-amino-2-methylpropyl)-2-methoxy-3,6-dimethylphenol
CID 117320492
6-(2-amino-2-methylpropyl)-2-methoxy-3,4-dimethylphenol
CID 117320493
(5-chloro-3,4-dimethoxy-2-methylphenyl)methanol
CID 84682296
1-(3-bromo-2,5-dimethoxyphenyl)-2-methylpropan-2-amine
CID 117465340
1-(3,4-dimethoxy-2-methylphenyl)-2-methylpropan-2-amine
CID 117320489
1-[3-(1,1-difluoroethyl)-2-methoxy-5-methylphenyl]-2-methylpropan-2-amine
CID 117396642

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,4-dimethoxy-3-methylphenyl)-2-methylpropan-2-amine?
The IUPAC name of 1-(5-chloro-2,4-dimethoxy-3-methylphenyl)-2-methylpropan-2-amine (CID 117398192) is 1-(5-chloro-2,4-dimethoxy-3-methylphenyl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(5-chloro-2,4-dimethoxy-3-methylphenyl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(5-chloro-2,4-dimethoxy-3-methylphenyl)-2-methylpropan-2-amine is COc1c(Cl)cc(CC(C)(C)N)c(OC)c1C.
What is the InChIKey of 1-(5-chloro-2,4-dimethoxy-3-methylphenyl)-2-methylpropan-2-amine?
The InChIKey is KUVAUMXOASSPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO2/c1-8-11(16-4)9(7-13(2,3)15)6-10(14)12(8)17-5/h6H,7,15H2,1-5H3.
What are the key properties of 1-(5-chloro-2,4-dimethoxy-3-methylphenyl)-2-methylpropan-2-amine?
1-(5-chloro-2,4-dimethoxy-3-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-2,4-dimethoxy-3-methylphenyl)-2-methylpropan-2-amine is sourced from PubChem (CID 117398192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).