1-[4-(2,5-dimethylphenoxy)phenyl]-N-ethylethanamine

C18H23NO — CID 43285455

IUPAC1-[4-(2,5-dimethylphenoxy)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(Oc2cc(C)ccc2C)cc1
InChIInChI=1S/C18H23NO/c1-5-19-15(4)16-8-10-17(11-9-16)20-18-12-13(2)6-7-14(18)3/h6-12,15,19H,5H2,1-4H3
InChIKeyCGVUMBSMQDGZHP-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.77
Rot. Bonds5

About 1-[4-(2,5-dimethylphenoxy)phenyl]-N-ethylethanamine

1-[4-(2,5-dimethylphenoxy)phenyl]-N-ethylethanamine (PubChem CID 43285455) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-[4-(2,5-dimethylphenoxy)phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[4-(2,5-dimethylphenoxy)phenyl]-N-ethylethanamine
PubChem CID43285455
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name1-[4-(2,5-dimethylphenoxy)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(Oc2cc(C)ccc2C)cc1
InChIInChI=1S/C18H23NO/c1-5-19-15(4)16-8-10-17(11-9-16)20-18-12-13(2)6-7-14(18)3/h6-12,15,19H,5H2,1-4H3
InChIKeyCGVUMBSMQDGZHP-UHFFFAOYSA-N
XLogP4.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(4-bromo-2-chlorophenoxy)phenyl]-N-ethylethanamine
CID 43285711
N-ethyl-1-(4-phenoxyphenyl)ethanamine
CID 43285534
1-[4-(2,4-dibromophenoxy)phenyl]-N-ethylethanamine
CID 64720013
N-[1-[3-chloro-4-(4-methylphenoxy)phenyl]ethyl]propan-1-amine
CID 63533466
1-[4-bromo-2-(2,5-dimethylphenoxy)phenyl]-N-ethylethanamine
CID 82955278
N-ethyl-1-[4-(2-iodophenoxy)phenyl]ethanamine
CID 43479753
1-[3-chloro-4-(5-fluoro-2-methylphenoxy)phenyl]-N-ethylethanamine
CID 102982259
1-[3-bromo-4-(5-bromo-2-methylphenoxy)phenyl]-N-ethylethanamine
CID 107284790
ethane;N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 143132018
N-[[4-methyl-3-(4-propan-2-ylphenoxy)phenyl]methyl]ethanamine
CID 105406594
N-ethyl-1-[4-(2-methoxy-4,6-dimethylphenyl)phenyl]ethanamine
CID 106681143
1-[4-(3-chlorophenoxy)phenyl]-N-ethylethanamine
CID 43285575

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,5-dimethylphenoxy)phenyl]-N-ethylethanamine?
The IUPAC name of 1-[4-(2,5-dimethylphenoxy)phenyl]-N-ethylethanamine (CID 43285455) is 1-[4-(2,5-dimethylphenoxy)phenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[4-(2,5-dimethylphenoxy)phenyl]-N-ethylethanamine?
The canonical SMILES for 1-[4-(2,5-dimethylphenoxy)phenyl]-N-ethylethanamine is CCNC(C)c1ccc(Oc2cc(C)ccc2C)cc1.
What is the InChIKey of 1-[4-(2,5-dimethylphenoxy)phenyl]-N-ethylethanamine?
The InChIKey is CGVUMBSMQDGZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-5-19-15(4)16-8-10-17(11-9-16)20-18-12-13(2)6-7-14(18)3/h6-12,15,19H,5H2,1-4H3.
What are the key properties of 1-[4-(2,5-dimethylphenoxy)phenyl]-N-ethylethanamine?
1-[4-(2,5-dimethylphenoxy)phenyl]-N-ethylethanamine has a molecular weight of 269.39 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-dimethylphenoxy)phenyl]-N-ethylethanamine is sourced from PubChem (CID 43285455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).