5-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-ol

C15H24ClNO2 — CID 106146980

IUPAC5-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-ol
SMILESCC(C)(CCCO)CNCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C15H24ClNO2/c1-15(2,8-3-9-18)11-17-10-14(19)12-4-6-13(16)7-5-12/h4-7,14,17-19H,3,8-11H2,1-2H3
InChIKeyBVZSOEKVPNNAIZ-UHFFFAOYSA-N
MW285.81 g/mol
LogP2.76
Rot. Bonds8

About 5-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-ol

5-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-ol (PubChem CID 106146980) has the molecular formula C15H24ClNO2 and a molecular weight of 285.81 g/mol. Its IUPAC name is 5-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name5-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-ol
PubChem CID106146980
Molecular FormulaC15H24ClNO2
Molecular Weight285.81 g/mol
Exact Mass285.15
IUPAC Name5-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-ol
SMILESCC(C)(CCCO)CNCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C15H24ClNO2/c1-15(2,8-3-9-18)11-17-10-14(19)12-4-6-13(16)7-5-12/h4-7,14,17-19H,3,8-11H2,1-2H3
InChIKeyBVZSOEKVPNNAIZ-UHFFFAOYSA-N
XLogP2.76
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.81
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]-2,2-dimethylpropan-1-ol
CID 115359762
4,4-dimethyl-5-[(4-propan-2-ylphenyl)methylamino]pentan-1-ol
CID 103897565
(1S)-2-(tert-butylamino)-1-(4-chlorophenyl)ethanol
CID 39247269
4-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-3,3-dimethylbutan-1-ol
CID 106146601
5-(2-hydroxybutylamino)-4,4-dimethylpentan-1-ol
CID 106147089
5-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol
CID 106147203
1-(4-chlorophenyl)-2-(prop-2-ynylamino)ethanol
CID 60724752
N-(5-hydroxy-2,2-dimethylpentyl)-4-propan-2-ylbenzamide
CID 103899537
5-[[3-(dimethylamino)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol
CID 106147183
(1S)-1-(4-chlorophenyl)-2-(propan-2-ylamino)ethanol
CID 42553219
3-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]propan-1-ol
CID 82312246
2-(4-chlorophenoxy)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide
CID 103899485

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 5-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-ol (CID 106146980) is 5-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 5-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 5-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-ol is CC(C)(CCCO)CNCC(O)c1ccc(Cl)cc1.
What is the InChIKey of 5-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-ol?
The InChIKey is BVZSOEKVPNNAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO2/c1-15(2,8-3-9-18)11-17-10-14(19)12-4-6-13(16)7-5-12/h4-7,14,17-19H,3,8-11H2,1-2H3.
What are the key properties of 5-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-ol?
5-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-ol has a molecular weight of 285.81 g/mol, XLogP of 2.76, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 106146980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).