4-(5-chloro-2-methoxy-4-methylphenyl)-2-methylbutan-2-amine

C13H20ClNO — CID 82477650

IUPAC4-(5-chloro-2-methoxy-4-methylphenyl)-2-methylbutan-2-amine
SMILESCOc1cc(C)c(Cl)cc1CCC(C)(C)N
InChIInChI=1S/C13H20ClNO/c1-9-7-12(16-4)10(8-11(9)14)5-6-13(2,3)15/h7-8H,5-6,15H2,1-4H3
InChIKeyDVKJEGFPVGHTTO-UHFFFAOYSA-N
MW241.76 g/mol
LogP3.33
Rot. Bonds4

About 4-(5-chloro-2-methoxy-4-methylphenyl)-2-methylbutan-2-amine

4-(5-chloro-2-methoxy-4-methylphenyl)-2-methylbutan-2-amine (PubChem CID 82477650) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 4-(5-chloro-2-methoxy-4-methylphenyl)-2-methylbutan-2-amine.

Molecular Properties

Compound Name4-(5-chloro-2-methoxy-4-methylphenyl)-2-methylbutan-2-amine
PubChem CID82477650
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name4-(5-chloro-2-methoxy-4-methylphenyl)-2-methylbutan-2-amine
SMILESCOc1cc(C)c(Cl)cc1CCC(C)(C)N
InChIInChI=1S/C13H20ClNO/c1-9-7-12(16-4)10(8-11(9)14)5-6-13(2,3)15/h7-8H,5-6,15H2,1-4H3
InChIKeyDVKJEGFPVGHTTO-UHFFFAOYSA-N
XLogP3.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5-chloro-2-methoxy-4-methylphenyl)butan-2-amine
CID 82473812
1-chloro-5-(chloromethyl)-4-methoxy-2-methylbenzene
CID 82470034
1-(6-bromohexyl)-5-chloro-2-methoxy-4-methylbenzene
CID 18921839
5-(5-chloro-2-methoxy-4-methylphenyl)pentan-1-ol
CID 98015509
[2-(5-chloro-2-methoxy-4-methylphenyl)ethylamino]methanethiol
CID 115228245
6-(5-chloro-2-methoxy-4-methylphenyl)hexan-3-amine
CID 83937511
5-(5-chloro-2-methoxy-4-methylphenyl)pentane-2,3-diol
CID 83937566
5-(5-chloro-2-methoxy-4-methylphenyl)pentan-2-one
CID 83937456
1-(5-chloro-2-methoxy-4-methylphenyl)heptane-3,4-diol
CID 83937570
methyl 4-(5-chloro-2-methoxy-4-methylphenyl)butanoate
CID 98784589
2-amino-5-(5-chloro-2-methoxy-4-methylphenyl)pentanoic acid
CID 112519884
1-(5-chloro-2-methoxy-4-methylphenyl)-N-(chloromethyl)methanamine
CID 115263017

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methoxy-4-methylphenyl)-2-methylbutan-2-amine?
The IUPAC name of 4-(5-chloro-2-methoxy-4-methylphenyl)-2-methylbutan-2-amine (CID 82477650) is 4-(5-chloro-2-methoxy-4-methylphenyl)-2-methylbutan-2-amine.
What is the SMILES notation for 4-(5-chloro-2-methoxy-4-methylphenyl)-2-methylbutan-2-amine?
The canonical SMILES for 4-(5-chloro-2-methoxy-4-methylphenyl)-2-methylbutan-2-amine is COc1cc(C)c(Cl)cc1CCC(C)(C)N.
What is the InChIKey of 4-(5-chloro-2-methoxy-4-methylphenyl)-2-methylbutan-2-amine?
The InChIKey is DVKJEGFPVGHTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-9-7-12(16-4)10(8-11(9)14)5-6-13(2,3)15/h7-8H,5-6,15H2,1-4H3.
What are the key properties of 4-(5-chloro-2-methoxy-4-methylphenyl)-2-methylbutan-2-amine?
4-(5-chloro-2-methoxy-4-methylphenyl)-2-methylbutan-2-amine has a molecular weight of 241.76 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methoxy-4-methylphenyl)-2-methylbutan-2-amine is sourced from PubChem (CID 82477650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).