6-chloro-4-(diethylamino)octan-2-ol;hydrochloride

C12H27Cl2NO — CID 173283318

IUPAC6-chloro-4-(diethylamino)octan-2-ol;hydrochloride
SMILESCCC(Cl)CC(CC(C)O)N(CC)CC.Cl
InChIInChI=1S/C12H26ClNO.ClH/c1-5-11(13)9-12(8-10(4)15)14(6-2)7-3;/h10-12,15H,5-9H2,1-4H3;1H
InChIKeyGMHRMWKTVJXXFN-UHFFFAOYSA-N
MW272.26 g/mol
LogP3.30
Rot. Bonds8

About 6-chloro-4-(diethylamino)octan-2-ol;hydrochloride

6-chloro-4-(diethylamino)octan-2-ol;hydrochloride (PubChem CID 173283318) has the molecular formula C12H27Cl2NO and a molecular weight of 272.26 g/mol. Its IUPAC name is 6-chloro-4-(diethylamino)octan-2-ol;hydrochloride.

Molecular Properties

Compound Name6-chloro-4-(diethylamino)octan-2-ol;hydrochloride
PubChem CID173283318
Molecular FormulaC12H27Cl2NO
Molecular Weight272.26 g/mol
Exact Mass271.15
IUPAC Name6-chloro-4-(diethylamino)octan-2-ol;hydrochloride
SMILESCCC(Cl)CC(CC(C)O)N(CC)CC.Cl
InChIInChI=1S/C12H26ClNO.ClH/c1-5-11(13)9-12(8-10(4)15)14(6-2)7-3;/h10-12,15H,5-9H2,1-4H3;1H
InChIKeyGMHRMWKTVJXXFN-UHFFFAOYSA-N
XLogP3.30
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 173284113
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CID 173284024
(2R,3R)-2-(diethylamino)pentan-3-ol
CID 131860305
3,5,7-trichlorononane
CID 86070462
3,5,7,9-tetrachloroundecane
CID 20749072
(2R)-1-[butan-2-yl(ethyl)amino]propan-2-ol
CID 103934940
N,N-diethylpentan-3-amine;hydrobromide
CID 175223065
6-chloro-4-(dimethylamino)hexan-2-ol;hydrochloride
CID 173284115
5-ethylheptane-2,4-diol
CID 87867419
4-[bis(4-hydroxypentan-2-yl)amino]pentan-2-ol
CID 142726782
(2S)-2-amino-N-[2-(diethylamino)-4-methylpentyl]butanamide;dihydrochloride
CID 119842280

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(diethylamino)octan-2-ol;hydrochloride?
The IUPAC name of 6-chloro-4-(diethylamino)octan-2-ol;hydrochloride (CID 173283318) is 6-chloro-4-(diethylamino)octan-2-ol;hydrochloride.
What is the SMILES notation for 6-chloro-4-(diethylamino)octan-2-ol;hydrochloride?
The canonical SMILES for 6-chloro-4-(diethylamino)octan-2-ol;hydrochloride is CCC(Cl)CC(CC(C)O)N(CC)CC.Cl.
What is the InChIKey of 6-chloro-4-(diethylamino)octan-2-ol;hydrochloride?
The InChIKey is GMHRMWKTVJXXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26ClNO.ClH/c1-5-11(13)9-12(8-10(4)15)14(6-2)7-3;/h10-12,15H,5-9H2,1-4H3;1H.
What are the key properties of 6-chloro-4-(diethylamino)octan-2-ol;hydrochloride?
6-chloro-4-(diethylamino)octan-2-ol;hydrochloride has a molecular weight of 272.26 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(diethylamino)octan-2-ol;hydrochloride is sourced from PubChem (CID 173283318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).