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

C12H18ClNO — CID 5296008

IUPAC2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethanamine
SMILESCc1cc(OCCN)c(C(C)C)cc1Cl
InChIInChI=1S/C12H18ClNO/c1-8(2)10-7-11(13)9(3)6-12(10)15-5-4-14/h6-8H,4-5,14H2,1-3H3
InChIKeyCFZGMLJESZUTFL-UHFFFAOYSA-N
MW227.73 g/mol
LogP3.11
Rot. Bonds4

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

2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethanamine (PubChem CID 5296008) has the molecular formula C12H18ClNO and a molecular weight of 227.73 g/mol. Its IUPAC name is 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethanamine.

Molecular Properties

Compound Name2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethanamine
PubChem CID5296008
Molecular FormulaC12H18ClNO
Molecular Weight227.73 g/mol
Exact Mass227.11
IUPAC Name2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethanamine
SMILESCc1cc(OCCN)c(C(C)C)cc1Cl
InChIInChI=1S/C12H18ClNO/c1-8(2)10-7-11(13)9(3)6-12(10)15-5-4-14/h6-8H,4-5,14H2,1-3H3
InChIKeyCFZGMLJESZUTFL-UHFFFAOYSA-N
XLogP3.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.73
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethanamine?
The IUPAC name of 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethanamine (CID 5296008) is 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethanamine.
What is the SMILES notation for 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethanamine?
The canonical SMILES for 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethanamine is Cc1cc(OCCN)c(C(C)C)cc1Cl.
What is the InChIKey of 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethanamine?
The InChIKey is CFZGMLJESZUTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO/c1-8(2)10-7-11(13)9(3)6-12(10)15-5-4-14/h6-8H,4-5,14H2,1-3H3.
What are the key properties of 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethanamine?
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethanamine has a molecular weight of 227.73 g/mol, XLogP of 3.11, 4 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)ethanamine is sourced from PubChem (CID 5296008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).