4-(4-chloro-3,5-dimethylphenoxy)-N,2-dimethylbutan-1-amine

C14H22ClNO — CID 112509062

IUPAC4-(4-chloro-3,5-dimethylphenoxy)-N,2-dimethylbutan-1-amine
SMILESCNCC(C)CCOc1cc(C)c(Cl)c(C)c1
InChIInChI=1S/C14H22ClNO/c1-10(9-16-4)5-6-17-13-7-11(2)14(15)12(3)8-13/h7-8,10,16H,5-6,9H2,1-4H3
InChIKeyBPSAWLCHWQTXLT-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.58
Rot. Bonds6

About 4-(4-chloro-3,5-dimethylphenoxy)-N,2-dimethylbutan-1-amine

4-(4-chloro-3,5-dimethylphenoxy)-N,2-dimethylbutan-1-amine (PubChem CID 112509062) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 4-(4-chloro-3,5-dimethylphenoxy)-N,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-(4-chloro-3,5-dimethylphenoxy)-N,2-dimethylbutan-1-amine
PubChem CID112509062
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name4-(4-chloro-3,5-dimethylphenoxy)-N,2-dimethylbutan-1-amine
SMILESCNCC(C)CCOc1cc(C)c(Cl)c(C)c1
InChIInChI=1S/C14H22ClNO/c1-10(9-16-4)5-6-17-13-7-11(2)14(15)12(3)8-13/h7-8,10,16H,5-6,9H2,1-4H3
InChIKeyBPSAWLCHWQTXLT-UHFFFAOYSA-N
XLogP3.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-1,3-dimethyl-5-propoxybenzene
CID 123140196
2-chloro-5-(2-ethoxyethoxy)-1,3-dimethylbenzene
CID 112828342
2-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]propan-1-amine
CID 82353498
2-bromo-5-(5-chloro-3-methylpentoxy)-1,3-dimethylbenzene
CID 107723041
N-[2-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]ethyl]butan-2-amine
CID 2935653
1-[4-[(4-chloro-3,5-dimethylphenoxy)methyl]phenyl]-N-methylmethanamine
CID 63497021
5-(4-bromo-3,5-dimethylphenoxy)-3-methylpentane-1-thiol
CID 107727257
4-(4-chloro-3,5-dimethylphenoxy)butan-2-one
CID 39246924
2-[4-(4-chloro-3,5-dimethylphenoxy)butanoylamino]propanoic acid
CID 53263869
N-tert-butyl-5-(4-chloro-3,5-dimethylphenoxy)pentan-1-amine
CID 63497724
4-(4-chloro-3,5-dimethylphenoxy)-N-(2-methoxyethyl)butan-1-amine
CID 62584314
1-(4-chloro-3,5-dimethylphenoxy)-3-methylbutan-2-one
CID 78949200

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3,5-dimethylphenoxy)-N,2-dimethylbutan-1-amine?
The IUPAC name of 4-(4-chloro-3,5-dimethylphenoxy)-N,2-dimethylbutan-1-amine (CID 112509062) is 4-(4-chloro-3,5-dimethylphenoxy)-N,2-dimethylbutan-1-amine.
What is the SMILES notation for 4-(4-chloro-3,5-dimethylphenoxy)-N,2-dimethylbutan-1-amine?
The canonical SMILES for 4-(4-chloro-3,5-dimethylphenoxy)-N,2-dimethylbutan-1-amine is CNCC(C)CCOc1cc(C)c(Cl)c(C)c1.
What is the InChIKey of 4-(4-chloro-3,5-dimethylphenoxy)-N,2-dimethylbutan-1-amine?
The InChIKey is BPSAWLCHWQTXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-10(9-16-4)5-6-17-13-7-11(2)14(15)12(3)8-13/h7-8,10,16H,5-6,9H2,1-4H3.
What are the key properties of 4-(4-chloro-3,5-dimethylphenoxy)-N,2-dimethylbutan-1-amine?
4-(4-chloro-3,5-dimethylphenoxy)-N,2-dimethylbutan-1-amine has a molecular weight of 255.79 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3,5-dimethylphenoxy)-N,2-dimethylbutan-1-amine is sourced from PubChem (CID 112509062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).