(3S)-1-(4-chlorophenyl)-4-(dimethylamino)-2,3-dimethylbutan-2-ol

C14H22ClNO — CID 155903707

IUPAC(3S)-1-(4-chlorophenyl)-4-(dimethylamino)-2,3-dimethylbutan-2-ol
SMILESC[C@@H](CN(C)C)C(C)(O)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H22ClNO/c1-11(10-16(3)4)14(2,17)9-12-5-7-13(15)8-6-12/h5-8,11,17H,9-10H2,1-4H3/t11-,14?/m0/s1
InChIKeyKVHHQGIIZCJATJ-ZSOXZCCMSA-N
MW255.79 g/mol
LogP2.83
Rot. Bonds5

About (3S)-1-(4-chlorophenyl)-4-(dimethylamino)-2,3-dimethylbutan-2-ol

(3S)-1-(4-chlorophenyl)-4-(dimethylamino)-2,3-dimethylbutan-2-ol (PubChem CID 155903707) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is (3S)-1-(4-chlorophenyl)-4-(dimethylamino)-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name(3S)-1-(4-chlorophenyl)-4-(dimethylamino)-2,3-dimethylbutan-2-ol
PubChem CID155903707
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name(3S)-1-(4-chlorophenyl)-4-(dimethylamino)-2,3-dimethylbutan-2-ol
SMILESC[C@@H](CN(C)C)C(C)(O)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H22ClNO/c1-11(10-16(3)4)14(2,17)9-12-5-7-13(15)8-6-12/h5-8,11,17H,9-10H2,1-4H3/t11-,14?/m0/s1
InChIKeyKVHHQGIIZCJATJ-ZSOXZCCMSA-N
XLogP2.83
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-chlorophenyl)-4-(dimethylamino)-2,3-dimethylbutan-2-ol?
The IUPAC name of (3S)-1-(4-chlorophenyl)-4-(dimethylamino)-2,3-dimethylbutan-2-ol (CID 155903707) is (3S)-1-(4-chlorophenyl)-4-(dimethylamino)-2,3-dimethylbutan-2-ol.
What is the SMILES notation for (3S)-1-(4-chlorophenyl)-4-(dimethylamino)-2,3-dimethylbutan-2-ol?
The canonical SMILES for (3S)-1-(4-chlorophenyl)-4-(dimethylamino)-2,3-dimethylbutan-2-ol is C[C@@H](CN(C)C)C(C)(O)Cc1ccc(Cl)cc1.
What is the InChIKey of (3S)-1-(4-chlorophenyl)-4-(dimethylamino)-2,3-dimethylbutan-2-ol?
The InChIKey is KVHHQGIIZCJATJ-ZSOXZCCMSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-11(10-16(3)4)14(2,17)9-12-5-7-13(15)8-6-12/h5-8,11,17H,9-10H2,1-4H3/t11-,14?/m0/s1.
What are the key properties of (3S)-1-(4-chlorophenyl)-4-(dimethylamino)-2,3-dimethylbutan-2-ol?
(3S)-1-(4-chlorophenyl)-4-(dimethylamino)-2,3-dimethylbutan-2-ol has a molecular weight of 255.79 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-chlorophenyl)-4-(dimethylamino)-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 155903707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).