2-[5-chloro-2-(4-propylphenoxy)phenyl]ethanamine

C17H20ClNO — CID 114863148

IUPAC2-[5-chloro-2-(4-propylphenoxy)phenyl]ethanamine
SMILESCCCc1ccc(Oc2ccc(Cl)cc2CCN)cc1
InChIInChI=1S/C17H20ClNO/c1-2-3-13-4-7-16(8-5-13)20-17-9-6-15(18)12-14(17)10-11-19/h4-9,12H,2-3,10-11,19H2,1H3
InChIKeyYFGPOKSOFBRGHO-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.59
Rot. Bonds6

About 2-[5-chloro-2-(4-propylphenoxy)phenyl]ethanamine

2-[5-chloro-2-(4-propylphenoxy)phenyl]ethanamine (PubChem CID 114863148) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 2-[5-chloro-2-(4-propylphenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[5-chloro-2-(4-propylphenoxy)phenyl]ethanamine
PubChem CID114863148
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name2-[5-chloro-2-(4-propylphenoxy)phenyl]ethanamine
SMILESCCCc1ccc(Oc2ccc(Cl)cc2CCN)cc1
InChIInChI=1S/C17H20ClNO/c1-2-3-13-4-7-16(8-5-13)20-17-9-6-15(18)12-14(17)10-11-19/h4-9,12H,2-3,10-11,19H2,1H3
InChIKeyYFGPOKSOFBRGHO-UHFFFAOYSA-N
XLogP4.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(bromomethyl)-4-chloro-1-(4-propylphenoxy)benzene
CID 107088390
2-[5-chloro-2-(4-ethoxyphenoxy)phenyl]ethanamine
CID 114862746
2-[5-chloro-2-(4-chloro-3-ethylphenoxy)phenyl]ethanamine
CID 114863101
5-chloro-2-(4-propylphenoxy)benzenecarbothioamide
CID 63518437
2-[2-(4-ethylphenoxy)-5-fluorophenyl]ethanamine
CID 63817525
2-[5-chloro-2-(4-ethyl-2-methoxyphenoxy)phenyl]ethanamine
CID 107668910
2-[5-chloro-2-(3-methoxyphenoxy)phenyl]ethanamine
CID 114862794
2-[2-(4-butylphenoxy)phenyl]ethanamine
CID 115493511
2-(4-butylphenoxy)-4-chloroaniline
CID 115492256
1-[5-chloro-2-(4-ethylphenoxy)phenyl]-N-methylmethanamine
CID 114855442
4-chloro-2-(4-propylphenoxy)benzenecarboximidamide
CID 63524864
2-[4-(4-chlorophenoxy)-3-methoxyphenyl]ethanamine
CID 118338803

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(4-propylphenoxy)phenyl]ethanamine?
The IUPAC name of 2-[5-chloro-2-(4-propylphenoxy)phenyl]ethanamine (CID 114863148) is 2-[5-chloro-2-(4-propylphenoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[5-chloro-2-(4-propylphenoxy)phenyl]ethanamine?
The canonical SMILES for 2-[5-chloro-2-(4-propylphenoxy)phenyl]ethanamine is CCCc1ccc(Oc2ccc(Cl)cc2CCN)cc1.
What is the InChIKey of 2-[5-chloro-2-(4-propylphenoxy)phenyl]ethanamine?
The InChIKey is YFGPOKSOFBRGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-2-3-13-4-7-16(8-5-13)20-17-9-6-15(18)12-14(17)10-11-19/h4-9,12H,2-3,10-11,19H2,1H3.
What are the key properties of 2-[5-chloro-2-(4-propylphenoxy)phenyl]ethanamine?
2-[5-chloro-2-(4-propylphenoxy)phenyl]ethanamine has a molecular weight of 289.81 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-(4-propylphenoxy)phenyl]ethanamine is sourced from PubChem (CID 114863148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).