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

C14H22ClNO — CID 82027680

IUPAC1-(4-chloro-3,5-dimethylphenoxy)-3,3-dimethylbutan-2-amine
SMILESCc1cc(OCC(N)C(C)(C)C)cc(C)c1Cl
InChIInChI=1S/C14H22ClNO/c1-9-6-11(7-10(2)13(9)15)17-8-12(16)14(3,4)5/h6-7,12H,8,16H2,1-5H3
InChIKeyWPEGRKWPBYUBPW-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.71
Rot. Bonds3

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

1-(4-chloro-3,5-dimethylphenoxy)-3,3-dimethylbutan-2-amine (PubChem CID 82027680) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 1-(4-chloro-3,5-dimethylphenoxy)-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name1-(4-chloro-3,5-dimethylphenoxy)-3,3-dimethylbutan-2-amine
PubChem CID82027680
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name1-(4-chloro-3,5-dimethylphenoxy)-3,3-dimethylbutan-2-amine
SMILESCc1cc(OCC(N)C(C)(C)C)cc(C)c1Cl
InChIInChI=1S/C14H22ClNO/c1-9-6-11(7-10(2)13(9)15)17-8-12(16)14(3,4)5/h6-7,12H,8,16H2,1-5H3
InChIKeyWPEGRKWPBYUBPW-UHFFFAOYSA-N
XLogP3.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenoxy)-3,3-dimethylbutan-2-amine
CID 105145912
3,3-dimethyl-1-(2,4,6-trimethylphenoxy)butan-2-amine
CID 61220683
3,3-dimethyl-1-(3-methylphenoxy)butan-2-amine
CID 16795067
2-(4-chloro-3,5-dimethylphenoxy)-1-(4-fluorophenyl)ethanamine
CID 82027729
1-(3-aminophenyl)-2-(4-chloro-3,5-dimethylphenoxy)ethanol
CID 62267931
4-(2-amino-3,3-dimethylbutoxy)phenol
CID 117242306
1-(3-tert-butylphenoxy)-3,3-dimethylbutan-2-amine
CID 43351797
2-chloro-1,3-dimethyl-5-propoxybenzene
CID 123140196
1-(3-ethylphenoxy)-3,3-dimethylbutan-2-amine
CID 43211628
3,3-dimethyl-1-(4-propylphenoxy)butan-2-amine
CID 62548208
3,3-dimethyl-1-pyridin-3-yloxybutan-2-amine
CID 117242309
2-[(4-chloro-3,5-dimethylphenoxy)methyl]oxirane
CID 43175697

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3,5-dimethylphenoxy)-3,3-dimethylbutan-2-amine?
The IUPAC name of 1-(4-chloro-3,5-dimethylphenoxy)-3,3-dimethylbutan-2-amine (CID 82027680) is 1-(4-chloro-3,5-dimethylphenoxy)-3,3-dimethylbutan-2-amine.
What is the SMILES notation for 1-(4-chloro-3,5-dimethylphenoxy)-3,3-dimethylbutan-2-amine?
The canonical SMILES for 1-(4-chloro-3,5-dimethylphenoxy)-3,3-dimethylbutan-2-amine is Cc1cc(OCC(N)C(C)(C)C)cc(C)c1Cl.
What is the InChIKey of 1-(4-chloro-3,5-dimethylphenoxy)-3,3-dimethylbutan-2-amine?
The InChIKey is WPEGRKWPBYUBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-9-6-11(7-10(2)13(9)15)17-8-12(16)14(3,4)5/h6-7,12H,8,16H2,1-5H3.
What are the key properties of 1-(4-chloro-3,5-dimethylphenoxy)-3,3-dimethylbutan-2-amine?
1-(4-chloro-3,5-dimethylphenoxy)-3,3-dimethylbutan-2-amine has a molecular weight of 255.79 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3,5-dimethylphenoxy)-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 82027680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).