2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-2-(5-methylthiophen-2-yl)ethanamine

C17H22ClNOS — CID 63461400

IUPAC2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-2-(5-methylthiophen-2-yl)ethanamine
SMILESCc1ccc(C(CN)Oc2cc(C(C)C)c(Cl)cc2C)s1
InChIInChI=1S/C17H22ClNOS/c1-10(2)13-8-15(11(3)7-14(13)18)20-16(9-19)17-6-5-12(4)21-17/h5-8,10,16H,9,19H2,1-4H3
InChIKeyLYORDFMIJFEZPO-UHFFFAOYSA-N
MW323.89 g/mol
LogP5.22
Rot. Bonds5

About 2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-2-(5-methylthiophen-2-yl)ethanamine

2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-2-(5-methylthiophen-2-yl)ethanamine (PubChem CID 63461400) has the molecular formula C17H22ClNOS and a molecular weight of 323.89 g/mol. Its IUPAC name is 2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-2-(5-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-2-(5-methylthiophen-2-yl)ethanamine
PubChem CID63461400
Molecular FormulaC17H22ClNOS
Molecular Weight323.89 g/mol
Exact Mass323.11
IUPAC Name2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-2-(5-methylthiophen-2-yl)ethanamine
SMILESCc1ccc(C(CN)Oc2cc(C(C)C)c(Cl)cc2C)s1
InChIInChI=1S/C17H22ClNOS/c1-10(2)13-8-15(11(3)7-14(13)18)20-16(9-19)17-6-5-12(4)21-17/h5-8,10,16H,9,19H2,1-4H3
InChIKeyLYORDFMIJFEZPO-UHFFFAOYSA-N
XLogP5.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.89
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-3,3,3-trifluoropropan-1-amine
CID 43752979
3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pentan-1-amine
CID 43530998
2-(4-bromo-3-methylphenoxy)-2-(5-methylthiophen-2-yl)ethanamine
CID 83133681
2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-1-phenylethanamine
CID 63772583
1-chloro-4-(3-chloropropoxy)-5-methyl-2-propan-2-ylbenzene
CID 43169722
2-(4-bromo-3-fluorophenoxy)-2-(5-methylthiophen-2-yl)ethanamine
CID 65204033
5-[(4-chloro-2-methyl-5-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-amine
CID 79775252
2-[3-(methoxymethyl)phenoxy]-2-(5-methylthiophen-2-yl)ethanamine
CID 63986148
1-chloro-4-(2-methoxyethoxy)-5-methyl-2-propan-2-ylbenzene
CID 112812708
3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pentanimidamide
CID 43368956
4-bromo-2-[(4-chloro-2-methyl-5-propan-2-ylphenoxy)methyl]thiophene
CID 55192997
2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 63517705

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-2-(5-methylthiophen-2-yl)ethanamine?
The IUPAC name of 2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-2-(5-methylthiophen-2-yl)ethanamine (CID 63461400) is 2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-2-(5-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-2-(5-methylthiophen-2-yl)ethanamine?
The canonical SMILES for 2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-2-(5-methylthiophen-2-yl)ethanamine is Cc1ccc(C(CN)Oc2cc(C(C)C)c(Cl)cc2C)s1.
What is the InChIKey of 2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-2-(5-methylthiophen-2-yl)ethanamine?
The InChIKey is LYORDFMIJFEZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNOS/c1-10(2)13-8-15(11(3)7-14(13)18)20-16(9-19)17-6-5-12(4)21-17/h5-8,10,16H,9,19H2,1-4H3.
What are the key properties of 2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-2-(5-methylthiophen-2-yl)ethanamine?
2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-2-(5-methylthiophen-2-yl)ethanamine has a molecular weight of 323.89 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-2-(5-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 63461400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).