1-[4-(4-chlorophenoxy)phenyl]-4-(diethylamino)butan-1-ol

C20H26ClNO2 — CID 154295078

IUPAC1-[4-(4-chlorophenoxy)phenyl]-4-(diethylamino)butan-1-ol
SMILESCCN(CC)CCCC(O)c1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H26ClNO2/c1-3-22(4-2)15-5-6-20(23)16-7-11-18(12-8-16)24-19-13-9-17(21)10-14-19/h7-14,20,23H,3-6,15H2,1-2H3
InChIKeyVDWUBIUWZHHXOR-UHFFFAOYSA-N
MW347.89 g/mol
LogP5.29
Rot. Bonds9

About 1-[4-(4-chlorophenoxy)phenyl]-4-(diethylamino)butan-1-ol

1-[4-(4-chlorophenoxy)phenyl]-4-(diethylamino)butan-1-ol (PubChem CID 154295078) has the molecular formula C20H26ClNO2 and a molecular weight of 347.89 g/mol. Its IUPAC name is 1-[4-(4-chlorophenoxy)phenyl]-4-(diethylamino)butan-1-ol.

Molecular Properties

Compound Name1-[4-(4-chlorophenoxy)phenyl]-4-(diethylamino)butan-1-ol
PubChem CID154295078
Molecular FormulaC20H26ClNO2
Molecular Weight347.89 g/mol
Exact Mass347.17
IUPAC Name1-[4-(4-chlorophenoxy)phenyl]-4-(diethylamino)butan-1-ol
SMILESCCN(CC)CCCC(O)c1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H26ClNO2/c1-3-22(4-2)15-5-6-20(23)16-7-11-18(12-8-16)24-19-13-9-17(21)10-14-19/h7-14,20,23H,3-6,15H2,1-2H3
InChIKeyVDWUBIUWZHHXOR-UHFFFAOYSA-N
XLogP5.29
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.89
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-3-[ethyl(propyl)amino]propan-1-ol
CID 55099257
2-[4-(4-chlorophenoxy)phenoxy]-N,N-diethylethanamine
CID 21318117
3-(diethylamino)-1-(4-hexoxyphenyl)propan-1-ol
CID 82073822
(1R)-1-(4-chlorophenyl)heptan-1-ol
CID 94505087
(1R)-1-(4-chlorophenyl)undecan-1-ol
CID 98483140
1-[4-(4-chlorophenoxy)phenyl]-4-(2-methylimidazol-1-yl)butan-1-ol
CID 70525917
1-(4-chlorophenyl)-5-methylhexan-1-ol
CID 83158277
1-(4-chlorophenyl)-3-(4-methoxy-N-methylanilino)propan-1-ol
CID 62630498
(1S)-1-(4-chlorophenyl)-N',N'-diethylpropane-1,3-diamine
CID 28814207
1-(4-chlorophenyl)-3-fluoropropan-1-ol
CID 146533212
1-(4-chlorophenyl)-3-(N-ethylanilino)propan-1-ol
CID 62645445
2-[3-(4-chlorophenoxy)propyl-ethylamino]ethanol
CID 60685925

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenoxy)phenyl]-4-(diethylamino)butan-1-ol?
The IUPAC name of 1-[4-(4-chlorophenoxy)phenyl]-4-(diethylamino)butan-1-ol (CID 154295078) is 1-[4-(4-chlorophenoxy)phenyl]-4-(diethylamino)butan-1-ol.
What is the SMILES notation for 1-[4-(4-chlorophenoxy)phenyl]-4-(diethylamino)butan-1-ol?
The canonical SMILES for 1-[4-(4-chlorophenoxy)phenyl]-4-(diethylamino)butan-1-ol is CCN(CC)CCCC(O)c1ccc(Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[4-(4-chlorophenoxy)phenyl]-4-(diethylamino)butan-1-ol?
The InChIKey is VDWUBIUWZHHXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClNO2/c1-3-22(4-2)15-5-6-20(23)16-7-11-18(12-8-16)24-19-13-9-17(21)10-14-19/h7-14,20,23H,3-6,15H2,1-2H3.
What are the key properties of 1-[4-(4-chlorophenoxy)phenyl]-4-(diethylamino)butan-1-ol?
1-[4-(4-chlorophenoxy)phenyl]-4-(diethylamino)butan-1-ol has a molecular weight of 347.89 g/mol, XLogP of 5.29, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenoxy)phenyl]-4-(diethylamino)butan-1-ol is sourced from PubChem (CID 154295078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).