3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-ol

C15H24ClNO2 — CID 104628144

IUPAC3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)C(CCO)NCC(O)c1ccccc1Cl
InChIInChI=1S/C15H24ClNO2/c1-15(2,3)14(8-9-18)17-10-13(19)11-6-4-5-7-12(11)16/h4-7,13-14,17-19H,8-10H2,1-3H3
InChIKeyNDFPTDIMMPIQKO-UHFFFAOYSA-N
MW285.81 g/mol
LogP2.76
Rot. Bonds6

About 3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-ol

3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-ol (PubChem CID 104628144) has the molecular formula C15H24ClNO2 and a molecular weight of 285.81 g/mol. Its IUPAC name is 3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-ol
PubChem CID104628144
Molecular FormulaC15H24ClNO2
Molecular Weight285.81 g/mol
Exact Mass285.15
IUPAC Name3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)C(CCO)NCC(O)c1ccccc1Cl
InChIInChI=1S/C15H24ClNO2/c1-15(2,3)14(8-9-18)17-10-13(19)11-6-4-5-7-12(11)16/h4-7,13-14,17-19H,8-10H2,1-3H3
InChIKeyNDFPTDIMMPIQKO-UHFFFAOYSA-N
XLogP2.76
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
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

Analyze 3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-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

3-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-ol
CID 104628106
3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]pentan-1-ol
CID 113495705
(1S)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanol
CID 667686
1-(2-chlorophenyl)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]ethanol
CID 81378384
(1S)-1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydrochloride
CID 76957004
sodium;1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydride;hydrate;hydrochloride
CID 173081164
2-(tert-butylamino)-1-(2-chlorophenyl)ethanol;ethanol
CID 174971213
(1R)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanol;hydrochloride
CID 45357807
3-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-ol
CID 104628067
1-(2-chlorophenyl)-2-(pentan-2-ylamino)ethanol
CID 60898219
4-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-3,3-dimethylbutan-1-ol
CID 106146601
1-(2-chlorophenyl)-2-(3-methylpentan-3-ylamino)ethanol
CID 113253717

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-ol (CID 104628144) is 3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-ol is CC(C)(C)C(CCO)NCC(O)c1ccccc1Cl.
What is the InChIKey of 3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-ol?
The InChIKey is NDFPTDIMMPIQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO2/c1-15(2,3)14(8-9-18)17-10-13(19)11-6-4-5-7-12(11)16/h4-7,13-14,17-19H,8-10H2,1-3H3.
What are the key properties of 3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-ol?
3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-ol has a molecular weight of 285.81 g/mol, XLogP of 2.76, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 104628144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).