1-[4-(2,4-dimethylphenoxy)phenyl]ethanamine

C16H19NO — CID 43189138

IUPAC1-[4-(2,4-dimethylphenoxy)phenyl]ethanamine
SMILESCc1ccc(Oc2ccc(C(C)N)cc2)c(C)c1
InChIInChI=1S/C16H19NO/c1-11-4-9-16(12(2)10-11)18-15-7-5-14(6-8-15)13(3)17/h4-10,13H,17H2,1-3H3
InChIKeyGVSMWMNOTNJDAV-UHFFFAOYSA-N
MW241.33 g/mol
LogP4.12
Rot. Bonds3

About 1-[4-(2,4-dimethylphenoxy)phenyl]ethanamine

1-[4-(2,4-dimethylphenoxy)phenyl]ethanamine (PubChem CID 43189138) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-[4-(2,4-dimethylphenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-(2,4-dimethylphenoxy)phenyl]ethanamine
PubChem CID43189138
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name1-[4-(2,4-dimethylphenoxy)phenyl]ethanamine
SMILESCc1ccc(Oc2ccc(C(C)N)cc2)c(C)c1
InChIInChI=1S/C16H19NO/c1-11-4-9-16(12(2)10-11)18-15-7-5-14(6-8-15)13(3)17/h4-10,13H,17H2,1-3H3
InChIKeyGVSMWMNOTNJDAV-UHFFFAOYSA-N
XLogP4.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[4-(4-bromo-2-methylphenoxy)phenyl]ethanamine
CID 78938448
(1S)-1-[4-(2-chloro-5-methylphenoxy)phenyl]ethanamine
CID 63369920
2-[4-(2,4-dimethylphenoxy)phenyl]propanoic acid
CID 82305907
2-amino-1-[4-(2,4-dimethylphenoxy)phenyl]ethanol
CID 82044821
carbon monoxide;2,4-dimethyl-1-(4-methylphenoxy)benzene
CID 91264614
1-[4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)phenyl]ethanamine
CID 43352001
1-[4-[(2,4-dimethylphenyl)methoxy]-3-methylphenyl]ethanamine
CID 82092954
1-[4-(2,4-dimethylphenyl)phenyl]ethanamine
CID 61033767
1-[4-(4-propan-2-ylphenoxy)phenyl]ethanamine
CID 43109127
4-[2-[1-[2-(4-aminophenoxy)-5-methylphenyl]ethyl]-4-methylphenoxy]aniline
CID 22237122
(1S)-1-[3-chloro-4-(2-chloro-4-methylphenoxy)phenyl]ethanamine
CID 78938399
1-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanamine
CID 62156324

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4-dimethylphenoxy)phenyl]ethanamine?
The IUPAC name of 1-[4-(2,4-dimethylphenoxy)phenyl]ethanamine (CID 43189138) is 1-[4-(2,4-dimethylphenoxy)phenyl]ethanamine.
What is the SMILES notation for 1-[4-(2,4-dimethylphenoxy)phenyl]ethanamine?
The canonical SMILES for 1-[4-(2,4-dimethylphenoxy)phenyl]ethanamine is Cc1ccc(Oc2ccc(C(C)N)cc2)c(C)c1.
What is the InChIKey of 1-[4-(2,4-dimethylphenoxy)phenyl]ethanamine?
The InChIKey is GVSMWMNOTNJDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-11-4-9-16(12(2)10-11)18-15-7-5-14(6-8-15)13(3)17/h4-10,13H,17H2,1-3H3.
What are the key properties of 1-[4-(2,4-dimethylphenoxy)phenyl]ethanamine?
1-[4-(2,4-dimethylphenoxy)phenyl]ethanamine has a molecular weight of 241.33 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4-dimethylphenoxy)phenyl]ethanamine is sourced from PubChem (CID 43189138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).