6-chloro-4-(diethylamino)pentadecan-2-ol

C19H40ClNO — CID 87350361

IUPAC6-chloro-4-(diethylamino)pentadecan-2-ol
SMILESCCCCCCCCCC(Cl)CC(CC(C)O)N(CC)CC
InChIInChI=1S/C19H40ClNO/c1-5-8-9-10-11-12-13-14-18(20)16-19(15-17(4)22)21(6-2)7-3/h17-19,22H,5-16H2,1-4H3
InChIKeyGFSPIENVQSRNQW-UHFFFAOYSA-N
MW333.99 g/mol
LogP5.61
Rot. Bonds15

About 6-chloro-4-(diethylamino)pentadecan-2-ol

6-chloro-4-(diethylamino)pentadecan-2-ol (PubChem CID 87350361) has the molecular formula C19H40ClNO and a molecular weight of 333.99 g/mol. Its IUPAC name is 6-chloro-4-(diethylamino)pentadecan-2-ol.

Molecular Properties

Compound Name6-chloro-4-(diethylamino)pentadecan-2-ol
PubChem CID87350361
Molecular FormulaC19H40ClNO
Molecular Weight333.99 g/mol
Exact Mass333.28
IUPAC Name6-chloro-4-(diethylamino)pentadecan-2-ol
SMILESCCCCCCCCCC(Cl)CC(CC(C)O)N(CC)CC
InChIInChI=1S/C19H40ClNO/c1-5-8-9-10-11-12-13-14-18(20)16-19(15-17(4)22)21(6-2)7-3/h17-19,22H,5-16H2,1-4H3
InChIKeyGFSPIENVQSRNQW-UHFFFAOYSA-N
XLogP5.61
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.99
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 6-chloro-4-(diethylamino)pentadecan-2-ol 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

6-chloro-4-(dimethylamino)tetradecan-2-ol;hydrochloride
CID 173284024
6-chloro-4-(diethylamino)octan-2-ol;hydrochloride
CID 173283318
17-chlorotritriacontane
CID 87852962
N,N-diethyltridecan-4-amine
CID 159822270
(2R,4R)-decane-2,4-diol
CID 16752205
3-chlorododecyl-(2-hydroxypentadecan-4-yl)-dimethylazanium chloride
CID 171473723
henicosan-2-ol
CID 14151023
(2S)-octadecan-2-ol
CID 25022019
docosan-2-ol
CID 14151025
octan-2-ol
CID 20083
heptane;heptan-2-ol
CID 157400640
hexadecane-2,4,5-triol
CID 90443038

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(diethylamino)pentadecan-2-ol?
The IUPAC name of 6-chloro-4-(diethylamino)pentadecan-2-ol (CID 87350361) is 6-chloro-4-(diethylamino)pentadecan-2-ol.
What is the SMILES notation for 6-chloro-4-(diethylamino)pentadecan-2-ol?
The canonical SMILES for 6-chloro-4-(diethylamino)pentadecan-2-ol is CCCCCCCCCC(Cl)CC(CC(C)O)N(CC)CC.
What is the InChIKey of 6-chloro-4-(diethylamino)pentadecan-2-ol?
The InChIKey is GFSPIENVQSRNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40ClNO/c1-5-8-9-10-11-12-13-14-18(20)16-19(15-17(4)22)21(6-2)7-3/h17-19,22H,5-16H2,1-4H3.
What are the key properties of 6-chloro-4-(diethylamino)pentadecan-2-ol?
6-chloro-4-(diethylamino)pentadecan-2-ol has a molecular weight of 333.99 g/mol, XLogP of 5.61, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(diethylamino)pentadecan-2-ol is sourced from PubChem (CID 87350361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).