1-(5-chloro-3-methoxy-2,4-dimethylphenyl)-2-methylpropan-2-amine

C13H20ClNO — CID 117356697

IUPAC1-(5-chloro-3-methoxy-2,4-dimethylphenyl)-2-methylpropan-2-amine
SMILESCOc1c(C)c(Cl)cc(CC(C)(C)N)c1C
InChIInChI=1S/C13H20ClNO/c1-8-10(7-13(3,4)15)6-11(14)9(2)12(8)16-5/h6H,7,15H2,1-5H3
InChIKeyQUJVCVOGDAWSEI-UHFFFAOYSA-N
MW241.76 g/mol
LogP3.25
Rot. Bonds3

About 1-(5-chloro-3-methoxy-2,4-dimethylphenyl)-2-methylpropan-2-amine

1-(5-chloro-3-methoxy-2,4-dimethylphenyl)-2-methylpropan-2-amine (PubChem CID 117356697) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 1-(5-chloro-3-methoxy-2,4-dimethylphenyl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(5-chloro-3-methoxy-2,4-dimethylphenyl)-2-methylpropan-2-amine
PubChem CID117356697
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name1-(5-chloro-3-methoxy-2,4-dimethylphenyl)-2-methylpropan-2-amine
SMILESCOc1c(C)c(Cl)cc(CC(C)(C)N)c1C
InChIInChI=1S/C13H20ClNO/c1-8-10(7-13(3,4)15)6-11(14)9(2)12(8)16-5/h6H,7,15H2,1-5H3
InChIKeyQUJVCVOGDAWSEI-UHFFFAOYSA-N
XLogP3.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(5-chloro-3-methoxy-2,4-dimethylphenyl)-2-methylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-chloro-2,4-dimethoxy-3-methylphenyl)-2-methylpropan-2-amine
CID 117398192
1-(3,4-dimethoxy-2,5-dimethylphenyl)-2-methylpropan-2-amine
CID 117347561
4-(2-amino-2-methylpropyl)-2-methoxy-3,6-dimethylphenol
CID 117320492
1-(5-chloro-2,3-dimethoxy-6-methylphenyl)-2-methylpropan-2-amine
CID 117398186
1-(3-chloro-5-ethyl-2-methoxyphenyl)-2-methylpropan-2-amine
CID 117356702
1-(3,4-dimethoxy-2-methylphenyl)-2-methylpropan-2-amine
CID 117320489
1-(5-bromo-2,4-dimethoxy-3-methylphenyl)-2-methylpropan-2-amine
CID 117486842
1-(3-chloro-2-fluoro-6-methoxy-5-methylphenyl)-2-methylpropan-2-amine
CID 117366838
6-(2-amino-2-methylpropyl)-2-methoxy-3,4-dimethylphenol
CID 117320493
1-[(5-chloro-3-methoxy-2,4-dimethylphenyl)methyl]cyclopropan-1-ol
CID 117354215
6-(2-amino-2-methylpropyl)-4-bromo-3-methoxy-2-methylphenol
CID 117465337
1-(3-chloro-4,5-dimethoxy-2-propan-2-ylphenyl)-2-methylpropan-2-amine
CID 117460468

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-3-methoxy-2,4-dimethylphenyl)-2-methylpropan-2-amine?
The IUPAC name of 1-(5-chloro-3-methoxy-2,4-dimethylphenyl)-2-methylpropan-2-amine (CID 117356697) is 1-(5-chloro-3-methoxy-2,4-dimethylphenyl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(5-chloro-3-methoxy-2,4-dimethylphenyl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(5-chloro-3-methoxy-2,4-dimethylphenyl)-2-methylpropan-2-amine is COc1c(C)c(Cl)cc(CC(C)(C)N)c1C.
What is the InChIKey of 1-(5-chloro-3-methoxy-2,4-dimethylphenyl)-2-methylpropan-2-amine?
The InChIKey is QUJVCVOGDAWSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-8-10(7-13(3,4)15)6-11(14)9(2)12(8)16-5/h6H,7,15H2,1-5H3.
What are the key properties of 1-(5-chloro-3-methoxy-2,4-dimethylphenyl)-2-methylpropan-2-amine?
1-(5-chloro-3-methoxy-2,4-dimethylphenyl)-2-methylpropan-2-amine has a molecular weight of 241.76 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-3-methoxy-2,4-dimethylphenyl)-2-methylpropan-2-amine is sourced from PubChem (CID 117356697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).