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

C14H22ClNO2 — CID 106146601

IUPAC4-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-3,3-dimethylbutan-1-ol
SMILESCC(C)(CCO)CNCC(O)c1ccccc1Cl
InChIInChI=1S/C14H22ClNO2/c1-14(2,7-8-17)10-16-9-13(18)11-5-3-4-6-12(11)15/h3-6,13,16-18H,7-10H2,1-2H3
InChIKeyYXHLUWLENDUGAC-UHFFFAOYSA-N
MW271.79 g/mol
LogP2.37
Rot. Bonds7

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

4-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-3,3-dimethylbutan-1-ol (PubChem CID 106146601) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is 4-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name4-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-3,3-dimethylbutan-1-ol
PubChem CID106146601
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC Name4-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-3,3-dimethylbutan-1-ol
SMILESCC(C)(CCO)CNCC(O)c1ccccc1Cl
InChIInChI=1S/C14H22ClNO2/c1-14(2,7-8-17)10-16-9-13(18)11-5-3-4-6-12(11)15/h3-6,13,16-18H,7-10H2,1-2H3
InChIKeyYXHLUWLENDUGAC-UHFFFAOYSA-N
XLogP2.37
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-3,3-dimethylbutan-1-ol with MolForge

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Related Compounds

1-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-2-ol
CID 65106313
1-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106247006
(1S)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanol
CID 667686
1-(2-chlorophenyl)-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethanol
CID 80526598
2-(tert-butylamino)-1-(2-chlorophenyl)ethanol;ethanol
CID 174971213
(1R)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanol;hydrochloride
CID 45357807
3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-ol
CID 104628144
1-(2-chlorophenyl)-2-(3-methylpentan-3-ylamino)ethanol
CID 113253717
3-[[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]methyl]hexan-1-ol
CID 106115231
1-(2-chlorophenyl)-2-(hydroxyamino)ethanol
CID 82111679
1-(2-chlorophenyl)-2-(octylamino)ethanol
CID 115567759
1-(2-chlorophenyl)-2-(2,3-dichloroanilino)ethanol
CID 60900575

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-3,3-dimethylbutan-1-ol?
The IUPAC name of 4-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-3,3-dimethylbutan-1-ol (CID 106146601) is 4-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-3,3-dimethylbutan-1-ol.
What is the SMILES notation for 4-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-3,3-dimethylbutan-1-ol?
The canonical SMILES for 4-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-3,3-dimethylbutan-1-ol is CC(C)(CCO)CNCC(O)c1ccccc1Cl.
What is the InChIKey of 4-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-3,3-dimethylbutan-1-ol?
The InChIKey is YXHLUWLENDUGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2/c1-14(2,7-8-17)10-16-9-13(18)11-5-3-4-6-12(11)15/h3-6,13,16-18H,7-10H2,1-2H3.
What are the key properties of 4-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-3,3-dimethylbutan-1-ol?
4-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-3,3-dimethylbutan-1-ol has a molecular weight of 271.79 g/mol, XLogP of 2.37, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 106146601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).