2-(4-chlorophenyl)-2-cyclopropyl-2-[2-(diethylamino)ethylamino]ethanol

C17H27ClN2O — CID 61047828

IUPAC2-(4-chlorophenyl)-2-cyclopropyl-2-[2-(diethylamino)ethylamino]ethanol
SMILESCCN(CC)CCNC(CO)(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C17H27ClN2O/c1-3-20(4-2)12-11-19-17(13-21,14-5-6-14)15-7-9-16(18)10-8-15/h7-10,14,19,21H,3-6,11-13H2,1-2H3
InChIKeyMAYDSGOBPRETAJ-UHFFFAOYSA-N
MW310.87 g/mol
LogP2.87
Rot. Bonds9

About 2-(4-chlorophenyl)-2-cyclopropyl-2-[2-(diethylamino)ethylamino]ethanol

2-(4-chlorophenyl)-2-cyclopropyl-2-[2-(diethylamino)ethylamino]ethanol (PubChem CID 61047828) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-cyclopropyl-2-[2-(diethylamino)ethylamino]ethanol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-cyclopropyl-2-[2-(diethylamino)ethylamino]ethanol
PubChem CID61047828
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name2-(4-chlorophenyl)-2-cyclopropyl-2-[2-(diethylamino)ethylamino]ethanol
SMILESCCN(CC)CCNC(CO)(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C17H27ClN2O/c1-3-20(4-2)12-11-19-17(13-21,14-5-6-14)15-7-9-16(18)10-8-15/h7-10,14,19,21H,3-6,11-13H2,1-2H3
InChIKeyMAYDSGOBPRETAJ-UHFFFAOYSA-N
XLogP2.87
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-1-cyclopropylethane-1,2-diol
CID 82713245
2-anilino-2-(4-chlorophenyl)-2-cyclopropylethanol
CID 61047502
2-(4-chlorophenyl)-2-cyclopropyl-2-(3-methylanilino)ethanol
CID 61048389
2-(4-chlorophenyl)-2-cyclopropyl-2-[2-(dimethylamino)ethylamino]acetic acid
CID 61001788
2-(4-chlorophenyl)-2-cyclopropyl-2-(3-fluoroanilino)ethanol
CID 61049500
2-[2-(diethylamino)ethylamino]-2-(4-fluorophenyl)propan-1-ol
CID 61049819
N-[(4-chlorophenyl)-cyclopropylmethyl]-N',N'-diethylethane-1,2-diamine
CID 43761796
2-[2-(diethylamino)ethylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 107852678
2-(5-bromo-2-fluorophenyl)-2-[2-(diethylamino)ethylamino]propan-1-ol
CID 82973754
2-[2-(diethylamino)ethylamino]-2-(4-methoxyphenyl)butan-1-ol
CID 61048016
2-(3-bromophenyl)-2-[2-(diethylamino)ethylamino]propan-1-ol
CID 61048823
3-(4-chlorophenyl)-N-ethyl-3-methyl-N-propylbutan-1-amine
CID 165135000

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-cyclopropyl-2-[2-(diethylamino)ethylamino]ethanol?
The IUPAC name of 2-(4-chlorophenyl)-2-cyclopropyl-2-[2-(diethylamino)ethylamino]ethanol (CID 61047828) is 2-(4-chlorophenyl)-2-cyclopropyl-2-[2-(diethylamino)ethylamino]ethanol.
What is the SMILES notation for 2-(4-chlorophenyl)-2-cyclopropyl-2-[2-(diethylamino)ethylamino]ethanol?
The canonical SMILES for 2-(4-chlorophenyl)-2-cyclopropyl-2-[2-(diethylamino)ethylamino]ethanol is CCN(CC)CCNC(CO)(c1ccc(Cl)cc1)C1CC1.
What is the InChIKey of 2-(4-chlorophenyl)-2-cyclopropyl-2-[2-(diethylamino)ethylamino]ethanol?
The InChIKey is MAYDSGOBPRETAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O/c1-3-20(4-2)12-11-19-17(13-21,14-5-6-14)15-7-9-16(18)10-8-15/h7-10,14,19,21H,3-6,11-13H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-2-cyclopropyl-2-[2-(diethylamino)ethylamino]ethanol?
2-(4-chlorophenyl)-2-cyclopropyl-2-[2-(diethylamino)ethylamino]ethanol has a molecular weight of 310.87 g/mol, XLogP of 2.87, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-cyclopropyl-2-[2-(diethylamino)ethylamino]ethanol is sourced from PubChem (CID 61047828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).