2-[[2-(4-chlorophenyl)-2-methylpropyl]amino]ethanol

C12H18ClNO — CID 115216485

IUPAC2-[[2-(4-chlorophenyl)-2-methylpropyl]amino]ethanol
SMILESCC(C)(CNCCO)c1ccc(Cl)cc1
InChIInChI=1S/C12H18ClNO/c1-12(2,9-14-7-8-15)10-3-5-11(13)6-4-10/h3-6,14-15H,7-9H2,1-2H3
InChIKeyZZTPFECNQGMSHX-UHFFFAOYSA-N
MW227.73 g/mol
LogP2.20
Rot. Bonds5

About 2-[[2-(4-chlorophenyl)-2-methylpropyl]amino]ethanol

2-[[2-(4-chlorophenyl)-2-methylpropyl]amino]ethanol (PubChem CID 115216485) has the molecular formula C12H18ClNO and a molecular weight of 227.73 g/mol. Its IUPAC name is 2-[[2-(4-chlorophenyl)-2-methylpropyl]amino]ethanol.

Molecular Properties

Compound Name2-[[2-(4-chlorophenyl)-2-methylpropyl]amino]ethanol
PubChem CID115216485
Molecular FormulaC12H18ClNO
Molecular Weight227.73 g/mol
Exact Mass227.11
IUPAC Name2-[[2-(4-chlorophenyl)-2-methylpropyl]amino]ethanol
SMILESCC(C)(CNCCO)c1ccc(Cl)cc1
InChIInChI=1S/C12H18ClNO/c1-12(2,9-14-7-8-15)10-3-5-11(13)6-4-10/h3-6,14-15H,7-9H2,1-2H3
InChIKeyZZTPFECNQGMSHX-UHFFFAOYSA-N
XLogP2.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.73
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[[2-(4-chlorophenyl)-2-methylpropyl]amino]methanol
CID 115229593
N'-[2-(4-chlorophenyl)-2-methylpropyl]-N-methylethane-1,2-diamine
CID 115196146
2-[[2-(3,4-dichlorophenyl)-2-methylpropyl]amino]ethanol
CID 115216577
1-(4-chlorophenyl)-2-(2-hydroxyethylamino)-1-(4-methylphenyl)ethanol
CID 143373788
2-[[2-methyl-2-[4-(2-methylpropyl)phenyl]propyl]amino]ethanol
CID 115216500
3-[[2-(4-chlorophenyl)-2-methylpropyl]amino]propane-1,2-diol
CID 115122482
1-N-[2-(4-chlorophenyl)-2-methylpropyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115222567
3-[[2-(4-chlorophenyl)-2-methylpropyl]amino]-2-methylpropanoic acid
CID 115219650
2-[[2-(5-chlorothiophen-2-yl)-2-methylpropyl]amino]ethanol
CID 115216508
(E)-4-[[2-(4-chlorophenyl)-2-methylpropyl]amino]but-2-enoic acid
CID 115237399
2-N-[2-(4-chlorophenyl)-2-methylpropyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115133060
2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]ethanol
CID 115216581

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chlorophenyl)-2-methylpropyl]amino]ethanol?
The IUPAC name of 2-[[2-(4-chlorophenyl)-2-methylpropyl]amino]ethanol (CID 115216485) is 2-[[2-(4-chlorophenyl)-2-methylpropyl]amino]ethanol.
What is the SMILES notation for 2-[[2-(4-chlorophenyl)-2-methylpropyl]amino]ethanol?
The canonical SMILES for 2-[[2-(4-chlorophenyl)-2-methylpropyl]amino]ethanol is CC(C)(CNCCO)c1ccc(Cl)cc1.
What is the InChIKey of 2-[[2-(4-chlorophenyl)-2-methylpropyl]amino]ethanol?
The InChIKey is ZZTPFECNQGMSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO/c1-12(2,9-14-7-8-15)10-3-5-11(13)6-4-10/h3-6,14-15H,7-9H2,1-2H3.
What are the key properties of 2-[[2-(4-chlorophenyl)-2-methylpropyl]amino]ethanol?
2-[[2-(4-chlorophenyl)-2-methylpropyl]amino]ethanol has a molecular weight of 227.73 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chlorophenyl)-2-methylpropyl]amino]ethanol is sourced from PubChem (CID 115216485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).