1-[4-(4-butylphenoxy)-2-chlorophenyl]ethanamine

C18H22ClNO — CID 115492766

IUPAC1-[4-(4-butylphenoxy)-2-chlorophenyl]ethanamine
SMILESCCCCc1ccc(Oc2ccc(C(C)N)c(Cl)c2)cc1
InChIInChI=1S/C18H22ClNO/c1-3-4-5-14-6-8-15(9-7-14)21-16-10-11-17(13(2)20)18(19)12-16/h6-13H,3-5,20H2,1-2H3
InChIKeyAJESLYGKKNUEHZ-UHFFFAOYSA-N
MW303.83 g/mol
LogP5.49
Rot. Bonds6

About 1-[4-(4-butylphenoxy)-2-chlorophenyl]ethanamine

1-[4-(4-butylphenoxy)-2-chlorophenyl]ethanamine (PubChem CID 115492766) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is 1-[4-(4-butylphenoxy)-2-chlorophenyl]ethanamine.

Molecular Properties

Compound Name1-[4-(4-butylphenoxy)-2-chlorophenyl]ethanamine
PubChem CID115492766
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name1-[4-(4-butylphenoxy)-2-chlorophenyl]ethanamine
SMILESCCCCc1ccc(Oc2ccc(C(C)N)c(Cl)c2)cc1
InChIInChI=1S/C18H22ClNO/c1-3-4-5-14-6-8-15(9-7-14)21-16-10-11-17(13(2)20)18(19)12-16/h6-13H,3-5,20H2,1-2H3
InChIKeyAJESLYGKKNUEHZ-UHFFFAOYSA-N
XLogP5.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.83
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[4-(4-butylphenoxy)-2-chlorophenyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-chloro-4-pentan-2-yloxyphenyl)ethanamine
CID 102982374
1-[2-chloro-4-(3-fluoro-4-methylphenoxy)phenyl]ethanamine
CID 107169559
1-[4-(4-bromo-3-methylphenoxy)-2-chlorophenyl]ethanamine
CID 83140873
1-[2-chloro-4-(2-methylpentoxy)phenyl]ethanamine
CID 103284016
1-tetracosyl-4-(4-tetracosylphenoxy)benzene
CID 57157299
2-(4-butylphenoxy)-3-chloroaniline
CID 115492204
2-(4-butylphenoxy)-4-chloroaniline
CID 115492256
3-(4-butylphenoxy)-5-methylaniline
CID 112648538
4-(4-butylphenoxy)-6-chloro-5-propan-2-ylpyrimidine
CID 115492542
1-[2-chloro-4-(2,4-dibromophenoxy)phenyl]ethanamine
CID 64719767
O-(4-butylphenyl)hydroxylamine
CID 176620577
1-[2-chloro-4-(5-fluoro-2-methylphenoxy)phenyl]ethanamine
CID 102982281

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-butylphenoxy)-2-chlorophenyl]ethanamine?
The IUPAC name of 1-[4-(4-butylphenoxy)-2-chlorophenyl]ethanamine (CID 115492766) is 1-[4-(4-butylphenoxy)-2-chlorophenyl]ethanamine.
What is the SMILES notation for 1-[4-(4-butylphenoxy)-2-chlorophenyl]ethanamine?
The canonical SMILES for 1-[4-(4-butylphenoxy)-2-chlorophenyl]ethanamine is CCCCc1ccc(Oc2ccc(C(C)N)c(Cl)c2)cc1.
What is the InChIKey of 1-[4-(4-butylphenoxy)-2-chlorophenyl]ethanamine?
The InChIKey is AJESLYGKKNUEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-3-4-5-14-6-8-15(9-7-14)21-16-10-11-17(13(2)20)18(19)12-16/h6-13H,3-5,20H2,1-2H3.
What are the key properties of 1-[4-(4-butylphenoxy)-2-chlorophenyl]ethanamine?
1-[4-(4-butylphenoxy)-2-chlorophenyl]ethanamine has a molecular weight of 303.83 g/mol, XLogP of 5.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-butylphenoxy)-2-chlorophenyl]ethanamine is sourced from PubChem (CID 115492766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).