8-[4-(diethylamino)phenyl]octan-1-ol

C18H31NO — CID 163869246

IUPAC8-[4-(diethylamino)phenyl]octan-1-ol
SMILESCCN(CC)c1ccc(CCCCCCCCO)cc1
InChIInChI=1S/C18H31NO/c1-3-19(4-2)18-14-12-17(13-15-18)11-9-7-5-6-8-10-16-20/h12-15,20H,3-11,16H2,1-2H3
InChIKeyPJIRFQWIRIRKKU-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.41
Rot. Bonds11

About 8-[4-(diethylamino)phenyl]octan-1-ol

8-[4-(diethylamino)phenyl]octan-1-ol (PubChem CID 163869246) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 8-[4-(diethylamino)phenyl]octan-1-ol.

Molecular Properties

Compound Name8-[4-(diethylamino)phenyl]octan-1-ol
PubChem CID163869246
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name8-[4-(diethylamino)phenyl]octan-1-ol
SMILESCCN(CC)c1ccc(CCCCCCCCO)cc1
InChIInChI=1S/C18H31NO/c1-3-19(4-2)18-14-12-17(13-15-18)11-9-7-5-6-8-10-16-20/h12-15,20H,3-11,16H2,1-2H3
InChIKeyPJIRFQWIRIRKKU-UHFFFAOYSA-N
XLogP4.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,15-bis[4-(diethylamino)phenyl]pentadecan-8-one
CID 163945129
6-[4-(N-[4-(6-hydroxyhexyl)phenyl]-4-methylanilino)phenyl]hexan-1-ol
CID 20580260
4-(4-propylphenyl)butan-1-ol
CID 10511962
4-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]butan-1-ol
CID 67358855
2-(4-dodecyl-N-ethylanilino)acetic acid
CID 139931897
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
6-(N-ethyl-4-fluoroanilino)hexan-1-ol
CID 103738482
2-[4-[2-chloroethyl(ethyl)amino]phenyl]ethanol
CID 139796314
4-(12-hydroxydodecyl)phenol
CID 139809285
4-[4-(methylamino)phenyl]butan-1-ol
CID 69404104
1-N,1-N,4-N,4-N-tetrakis(4-octylphenyl)benzene-1,4-diamine
CID 59470455
6-[4-(6-sulfanylhexyl)phenyl]hexan-1-ol
CID 71362156

Frequently Asked Questions

What is the IUPAC name of 8-[4-(diethylamino)phenyl]octan-1-ol?
The IUPAC name of 8-[4-(diethylamino)phenyl]octan-1-ol (CID 163869246) is 8-[4-(diethylamino)phenyl]octan-1-ol.
What is the SMILES notation for 8-[4-(diethylamino)phenyl]octan-1-ol?
The canonical SMILES for 8-[4-(diethylamino)phenyl]octan-1-ol is CCN(CC)c1ccc(CCCCCCCCO)cc1.
What is the InChIKey of 8-[4-(diethylamino)phenyl]octan-1-ol?
The InChIKey is PJIRFQWIRIRKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-3-19(4-2)18-14-12-17(13-15-18)11-9-7-5-6-8-10-16-20/h12-15,20H,3-11,16H2,1-2H3.
What are the key properties of 8-[4-(diethylamino)phenyl]octan-1-ol?
8-[4-(diethylamino)phenyl]octan-1-ol has a molecular weight of 277.45 g/mol, XLogP of 4.41, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(diethylamino)phenyl]octan-1-ol is sourced from PubChem (CID 163869246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).