2-[[2-chloro-2-[4-(2-methylpropyl)phenyl]ethyl]-ethylamino]ethanol

C16H26ClNO — CID 82215609

IUPAC2-[[2-chloro-2-[4-(2-methylpropyl)phenyl]ethyl]-ethylamino]ethanol
SMILESCCN(CCO)CC(Cl)c1ccc(CC(C)C)cc1
InChIInChI=1S/C16H26ClNO/c1-4-18(9-10-19)12-16(17)15-7-5-14(6-8-15)11-13(2)3/h5-8,13,16,19H,4,9-12H2,1-3H3
InChIKeyVYZQWCMOLDRWMA-UHFFFAOYSA-N
MW283.84 g/mol
LogP3.48
Rot. Bonds8

About 2-[[2-chloro-2-[4-(2-methylpropyl)phenyl]ethyl]-ethylamino]ethanol

2-[[2-chloro-2-[4-(2-methylpropyl)phenyl]ethyl]-ethylamino]ethanol (PubChem CID 82215609) has the molecular formula C16H26ClNO and a molecular weight of 283.84 g/mol. Its IUPAC name is 2-[[2-chloro-2-[4-(2-methylpropyl)phenyl]ethyl]-ethylamino]ethanol.

Molecular Properties

Compound Name2-[[2-chloro-2-[4-(2-methylpropyl)phenyl]ethyl]-ethylamino]ethanol
PubChem CID82215609
Molecular FormulaC16H26ClNO
Molecular Weight283.84 g/mol
Exact Mass283.17
IUPAC Name2-[[2-chloro-2-[4-(2-methylpropyl)phenyl]ethyl]-ethylamino]ethanol
SMILESCCN(CCO)CC(Cl)c1ccc(CC(C)C)cc1
InChIInChI=1S/C16H26ClNO/c1-4-18(9-10-19)12-16(17)15-7-5-14(6-8-15)11-13(2)3/h5-8,13,16,19H,4,9-12H2,1-3H3
InChIKeyVYZQWCMOLDRWMA-UHFFFAOYSA-N
XLogP3.48
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.84
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[ethyl(2-hydroxyethyl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 82217024
2-[[2-chloro-2-(4-ethoxyphenyl)ethyl]-ethylamino]ethanol
CID 82214844
2-[[2-chloro-2-(4-propan-2-ylphenyl)ethyl]-(2-hydroxyethyl)amino]ethanol
CID 82214394
1-(1-chloropropyl)-4-(2-methylpropyl)benzene
CID 11745911
1-(1-chloro-3-methylbutyl)-4-(2-methylpropyl)benzene
CID 63430577
N-[2-chloro-2-(4-ethylphenyl)ethyl]-N-ethylbutan-1-amine
CID 82214360
2-[butyl(ethyl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 63470564
2-[[2-(1,3-benzodioxol-5-yl)-2-chloroethyl]-ethylamino]ethanol
CID 82215210
2-[[2-chloro-2-(4-fluorophenyl)ethyl]-(2-hydroxyethyl)amino]ethanol
CID 82214488
2-[(2-chloro-2-phenylethyl)-(2-hydroxyethyl)amino]ethanol
CID 82214215
2-[2-hydroxyethyl(methyl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 82217026
2-(diethylamino)ethyl (2R)-2-[4-(2-methylpropyl)phenyl]propanoate
CID 135390819

Frequently Asked Questions

What is the IUPAC name of 2-[[2-chloro-2-[4-(2-methylpropyl)phenyl]ethyl]-ethylamino]ethanol?
The IUPAC name of 2-[[2-chloro-2-[4-(2-methylpropyl)phenyl]ethyl]-ethylamino]ethanol (CID 82215609) is 2-[[2-chloro-2-[4-(2-methylpropyl)phenyl]ethyl]-ethylamino]ethanol.
What is the SMILES notation for 2-[[2-chloro-2-[4-(2-methylpropyl)phenyl]ethyl]-ethylamino]ethanol?
The canonical SMILES for 2-[[2-chloro-2-[4-(2-methylpropyl)phenyl]ethyl]-ethylamino]ethanol is CCN(CCO)CC(Cl)c1ccc(CC(C)C)cc1.
What is the InChIKey of 2-[[2-chloro-2-[4-(2-methylpropyl)phenyl]ethyl]-ethylamino]ethanol?
The InChIKey is VYZQWCMOLDRWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO/c1-4-18(9-10-19)12-16(17)15-7-5-14(6-8-15)11-13(2)3/h5-8,13,16,19H,4,9-12H2,1-3H3.
What are the key properties of 2-[[2-chloro-2-[4-(2-methylpropyl)phenyl]ethyl]-ethylamino]ethanol?
2-[[2-chloro-2-[4-(2-methylpropyl)phenyl]ethyl]-ethylamino]ethanol has a molecular weight of 283.84 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-chloro-2-[4-(2-methylpropyl)phenyl]ethyl]-ethylamino]ethanol is sourced from PubChem (CID 82215609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).