2-(4-chlorophenyl)-2-(3-methylphenoxy)ethanamine

C15H16ClNO — CID 55015152

IUPAC2-(4-chlorophenyl)-2-(3-methylphenoxy)ethanamine
SMILESCc1cccc(OC(CN)c2ccc(Cl)cc2)c1
InChIInChI=1S/C15H16ClNO/c1-11-3-2-4-14(9-11)18-15(10-17)12-5-7-13(16)8-6-12/h2-9,15H,10,17H2,1H3
InChIKeyBAQVKTICWZVPKM-UHFFFAOYSA-N
MW261.75 g/mol
LogP3.73
Rot. Bonds4

About 2-(4-chlorophenyl)-2-(3-methylphenoxy)ethanamine

2-(4-chlorophenyl)-2-(3-methylphenoxy)ethanamine (PubChem CID 55015152) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-(3-methylphenoxy)ethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-(3-methylphenoxy)ethanamine
PubChem CID55015152
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name2-(4-chlorophenyl)-2-(3-methylphenoxy)ethanamine
SMILESCc1cccc(OC(CN)c2ccc(Cl)cc2)c1
InChIInChI=1S/C15H16ClNO/c1-11-3-2-4-14(9-11)18-15(10-17)12-5-7-13(16)8-6-12/h2-9,15H,10,17H2,1H3
InChIKeyBAQVKTICWZVPKM-UHFFFAOYSA-N
XLogP3.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-2-(3-fluoro-4-methylphenoxy)ethanamine
CID 107168741
2-(4-bromo-3-methylphenoxy)-2-(4-chlorophenyl)ethanamine
CID 83133250
2-(4-chloro-3-methylphenoxy)-2-(3-methylphenyl)ethanamine
CID 55020229
2-(3-tert-butylphenoxy)-2-(4-methylphenyl)ethanamine
CID 63461761
2-(4-chloro-3-fluorophenoxy)-2-(4-methylphenyl)ethanamine
CID 82716544
2-(3-bromo-4-fluorophenoxy)-2-(3-methylphenyl)ethanamine
CID 83233344
2-(3-chlorophenyl)-2-(4-methylphenoxy)ethanamine
CID 55019896
2-(2-bromophenyl)-2-(3-methylphenoxy)ethanamine
CID 55022790
prop-2-enyl 2-(4-chlorophenyl)-2-(3-methylphenoxy)acetate
CID 89116754
2-(2-bromo-4-chlorophenoxy)-2-(3-methylphenyl)ethanamine
CID 55020468
2-(3-methoxyphenoxy)-2-phenylethanamine
CID 55017396
2-(4-butan-2-ylphenoxy)-2-(3-methylphenyl)ethanamine
CID 107663903

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-(3-methylphenoxy)ethanamine?
The IUPAC name of 2-(4-chlorophenyl)-2-(3-methylphenoxy)ethanamine (CID 55015152) is 2-(4-chlorophenyl)-2-(3-methylphenoxy)ethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)-2-(3-methylphenoxy)ethanamine?
The canonical SMILES for 2-(4-chlorophenyl)-2-(3-methylphenoxy)ethanamine is Cc1cccc(OC(CN)c2ccc(Cl)cc2)c1.
What is the InChIKey of 2-(4-chlorophenyl)-2-(3-methylphenoxy)ethanamine?
The InChIKey is BAQVKTICWZVPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-11-3-2-4-14(9-11)18-15(10-17)12-5-7-13(16)8-6-12/h2-9,15H,10,17H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-2-(3-methylphenoxy)ethanamine?
2-(4-chlorophenyl)-2-(3-methylphenoxy)ethanamine has a molecular weight of 261.75 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-(3-methylphenoxy)ethanamine is sourced from PubChem (CID 55015152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).