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

C15H24ClNO2 — CID 117460468

IUPAC1-(3-chloro-4,5-dimethoxy-2-propan-2-ylphenyl)-2-methylpropan-2-amine
SMILESCOc1cc(CC(C)(C)N)c(C(C)C)c(Cl)c1OC
InChIInChI=1S/C15H24ClNO2/c1-9(2)12-10(8-15(3,4)17)7-11(18-5)14(19-6)13(12)16/h7,9H,8,17H2,1-6H3
InChIKeyPJJNTQNYEWJFTC-UHFFFAOYSA-N
MW285.82 g/mol
LogP3.76
Rot. Bonds5

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

1-(3-chloro-4,5-dimethoxy-2-propan-2-ylphenyl)-2-methylpropan-2-amine (PubChem CID 117460468) has the molecular formula C15H24ClNO2 and a molecular weight of 285.82 g/mol. Its IUPAC name is 1-(3-chloro-4,5-dimethoxy-2-propan-2-ylphenyl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3-chloro-4,5-dimethoxy-2-propan-2-ylphenyl)-2-methylpropan-2-amine
PubChem CID117460468
Molecular FormulaC15H24ClNO2
Molecular Weight285.82 g/mol
Exact Mass285.15
IUPAC Name1-(3-chloro-4,5-dimethoxy-2-propan-2-ylphenyl)-2-methylpropan-2-amine
SMILESCOc1cc(CC(C)(C)N)c(C(C)C)c(Cl)c1OC
InChIInChI=1S/C15H24ClNO2/c1-9(2)12-10(8-15(3,4)17)7-11(18-5)14(19-6)13(12)16/h7,9H,8,17H2,1-6H3
InChIKeyPJJNTQNYEWJFTC-UHFFFAOYSA-N
XLogP3.76
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4,5-dimethoxy-2-propan-2-ylphenyl)propan-2-amine
CID 117432479
1-[5-(1-fluoroethyl)-2,3-dimethoxyphenyl]-2-methylpropan-2-amine
CID 117391659
2-(2-chloro-3,4,6-trimethoxyphenyl)propan-1-amine
CID 117403628
1-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)-2-methylpropan-2-amine
CID 117491337
1-(2-ethyl-4,5-dimethoxyphenyl)-2-methylpropan-2-amine
CID 117347568
1-(5-chloro-2,3-dimethoxy-6-methylphenyl)-2-methylpropan-2-amine
CID 117398186
2-(1-aminopropan-2-yl)-3-chloro-4,5-dimethoxyphenol
CID 117366706
1-(5-chloro-2,4-dimethoxy-3-methylphenyl)-2-methylpropan-2-amine
CID 117398192
1-(5-chloro-3-methoxy-2,4-dimethylphenyl)-2-methylpropan-2-amine
CID 117356697
6-(2-aminopropyl)-2-chloro-3,4-dimethoxyphenol
CID 117366752
2-(2-chloro-3-ethyl-5,6-dimethoxyphenyl)propan-1-amine
CID 117398117
1-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-2-methylpropan-2-amine
CID 117386556

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4,5-dimethoxy-2-propan-2-ylphenyl)-2-methylpropan-2-amine?
The IUPAC name of 1-(3-chloro-4,5-dimethoxy-2-propan-2-ylphenyl)-2-methylpropan-2-amine (CID 117460468) is 1-(3-chloro-4,5-dimethoxy-2-propan-2-ylphenyl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(3-chloro-4,5-dimethoxy-2-propan-2-ylphenyl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(3-chloro-4,5-dimethoxy-2-propan-2-ylphenyl)-2-methylpropan-2-amine is COc1cc(CC(C)(C)N)c(C(C)C)c(Cl)c1OC.
What is the InChIKey of 1-(3-chloro-4,5-dimethoxy-2-propan-2-ylphenyl)-2-methylpropan-2-amine?
The InChIKey is PJJNTQNYEWJFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO2/c1-9(2)12-10(8-15(3,4)17)7-11(18-5)14(19-6)13(12)16/h7,9H,8,17H2,1-6H3.
What are the key properties of 1-(3-chloro-4,5-dimethoxy-2-propan-2-ylphenyl)-2-methylpropan-2-amine?
1-(3-chloro-4,5-dimethoxy-2-propan-2-ylphenyl)-2-methylpropan-2-amine has a molecular weight of 285.82 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4,5-dimethoxy-2-propan-2-ylphenyl)-2-methylpropan-2-amine is sourced from PubChem (CID 117460468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).