2-(2-tert-butyl-4-chlorophenoxy)ethyl-dimethylazanium

C14H23ClNO+ — CID 7413417

IUPAC2-(2-tert-butyl-4-chlorophenoxy)ethyl-dimethylazanium
SMILESC[NH+](C)CCOc1ccc(Cl)cc1C(C)(C)C
InChIInChI=1S/C14H22ClNO/c1-14(2,3)12-10-11(15)6-7-13(12)17-9-8-16(4)5/h6-7,10H,8-9H2,1-5H3/p+1
InChIKeyNFGGECACZRICDO-UHFFFAOYSA-O
MW256.80 g/mol
LogP2.16
Rot. Bonds4

About 2-(2-tert-butyl-4-chlorophenoxy)ethyl-dimethylazanium

2-(2-tert-butyl-4-chlorophenoxy)ethyl-dimethylazanium (PubChem CID 7413417) has the molecular formula C14H23ClNO+ and a molecular weight of 256.80 g/mol. Its IUPAC name is 2-(2-tert-butyl-4-chlorophenoxy)ethyl-dimethylazanium.

Molecular Properties

Compound Name2-(2-tert-butyl-4-chlorophenoxy)ethyl-dimethylazanium
PubChem CID7413417
Molecular FormulaC14H23ClNO+
Molecular Weight256.80 g/mol
Exact Mass256.15
IUPAC Name2-(2-tert-butyl-4-chlorophenoxy)ethyl-dimethylazanium
SMILESC[NH+](C)CCOc1ccc(Cl)cc1C(C)(C)C
InChIInChI=1S/C14H22ClNO/c1-14(2,3)12-10-11(15)6-7-13(12)17-9-8-16(4)5/h6-7,10H,8-9H2,1-5H3/p+1
InChIKeyNFGGECACZRICDO-UHFFFAOYSA-O
XLogP2.16
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.80
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3-(2-tert-butyl-4-chlorophenoxy)propyl]-2-methylpropan-2-amine
CID 2298399
N-tert-butyl-4-(2-tert-butyl-4-chlorophenoxy)butan-1-amine
CID 2297519
N'-[4-(2-tert-butyl-4-chlorophenoxy)butyl]ethane-1,2-diamine
CID 2296670
1-[2-(2-tert-butyl-4-chlorophenoxy)ethyl]pyrrolidin-1-ium
CID 7381474
2-(4-chloro-2-prop-2-enylphenoxy)ethyl-dimethylazanium
CID 7413567
7-(2-tert-butyl-4-chlorophenoxy)heptanoic acid
CID 57447300
3-(2-tert-butyl-4-chlorophenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 2299839
2-[2-(2-bromo-4-chlorophenoxy)ethoxy]ethyl-dimethylazanium
CID 2184806
1-[4-(2-tert-butyl-4-chlorophenoxy)butyl]-4-methylpiperazine
CID 2299696
N-[3-(2-tert-butyl-4-chlorophenoxy)propyl]butan-2-amine
CID 2935333
(2R,6R)-4-[3-(2-tert-butyl-4-chlorophenoxy)propyl]-2,6-dimethylmorpholin-4-ium
CID 2183415
2-[2-(2-tert-butyl-4-chlorophenoxy)ethyl]piperidine
CID 53408946

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-4-chlorophenoxy)ethyl-dimethylazanium?
The IUPAC name of 2-(2-tert-butyl-4-chlorophenoxy)ethyl-dimethylazanium (CID 7413417) is 2-(2-tert-butyl-4-chlorophenoxy)ethyl-dimethylazanium.
What is the SMILES notation for 2-(2-tert-butyl-4-chlorophenoxy)ethyl-dimethylazanium?
The canonical SMILES for 2-(2-tert-butyl-4-chlorophenoxy)ethyl-dimethylazanium is C[NH+](C)CCOc1ccc(Cl)cc1C(C)(C)C.
What is the InChIKey of 2-(2-tert-butyl-4-chlorophenoxy)ethyl-dimethylazanium?
The InChIKey is NFGGECACZRICDO-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H22ClNO/c1-14(2,3)12-10-11(15)6-7-13(12)17-9-8-16(4)5/h6-7,10H,8-9H2,1-5H3/p+1.
What are the key properties of 2-(2-tert-butyl-4-chlorophenoxy)ethyl-dimethylazanium?
2-(2-tert-butyl-4-chlorophenoxy)ethyl-dimethylazanium has a molecular weight of 256.80 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-4-chlorophenoxy)ethyl-dimethylazanium is sourced from PubChem (CID 7413417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).