2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-2-methylbutan-1-amine

C15H24ClNO — CID 62354646

IUPAC2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-2-methylbutan-1-amine
SMILESCCC(C)(CN)Oc1cc(C)c(Cl)cc1C(C)C
InChIInChI=1S/C15H24ClNO/c1-6-15(5,9-17)18-14-7-11(4)13(16)8-12(14)10(2)3/h7-8,10H,6,9,17H2,1-5H3
InChIKeyYUZHRWDOGCLUTO-UHFFFAOYSA-N
MW269.82 g/mol
LogP4.28
Rot. Bonds5

About 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-2-methylbutan-1-amine

2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-2-methylbutan-1-amine (PubChem CID 62354646) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-2-methylbutan-1-amine.

Molecular Properties

Compound Name2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-2-methylbutan-1-amine
PubChem CID62354646
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-2-methylbutan-1-amine
SMILESCCC(C)(CN)Oc1cc(C)c(Cl)cc1C(C)C
InChIInChI=1S/C15H24ClNO/c1-6-15(5,9-17)18-14-7-11(4)13(16)8-12(14)10(2)3/h7-8,10H,6,9,17H2,1-5H3
InChIKeyYUZHRWDOGCLUTO-UHFFFAOYSA-N
XLogP4.28
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-(2-propan-2-ylphenoxy)butan-1-amine
CID 62355244
N-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethyl]-3,3-dimethylbutan-1-amine
CID 63516251
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-methylethanamine
CID 62584526
2-(5-fluoro-2-methylphenoxy)-2-methylbutan-1-amine
CID 102986123
N-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethyl]propan-1-amine
CID 63517061
1-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-3-(2-methylbutan-2-ylamino)propan-2-ol
CID 47007175
ethyl 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-2-fluoroacetate
CID 79357323
2-[2-(5-chloro-2-ethoxy-4-methylphenyl)propyl]propane-1,3-diamine
CID 83937594
1-(3-bromopropoxy)-4-chloro-5-methyl-2-propan-2-ylbenzene
CID 154267384
2-[1-(5-chloro-2-methoxy-4-methylphenyl)ethyl]propane-1,3-diamine
CID 83937480
2-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethyl]guanidine
CID 158736954
1-(5-chloro-2-methoxy-4-methylphenyl)-2-methylpropane-1,3-diamine
CID 116933090

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-2-methylbutan-1-amine?
The IUPAC name of 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-2-methylbutan-1-amine (CID 62354646) is 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-2-methylbutan-1-amine.
What is the SMILES notation for 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-2-methylbutan-1-amine?
The canonical SMILES for 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-2-methylbutan-1-amine is CCC(C)(CN)Oc1cc(C)c(Cl)cc1C(C)C.
What is the InChIKey of 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-2-methylbutan-1-amine?
The InChIKey is YUZHRWDOGCLUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-6-15(5,9-17)18-14-7-11(4)13(16)8-12(14)10(2)3/h7-8,10H,6,9,17H2,1-5H3.
What are the key properties of 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-2-methylbutan-1-amine?
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-2-methylbutan-1-amine has a molecular weight of 269.82 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-2-methylbutan-1-amine is sourced from PubChem (CID 62354646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).