2-[3-chloroprop-2-enyl(cyclopropyl)amino]ethanol

C8H14ClNO — CID 76890342

IUPAC2-[3-chloroprop-2-enyl(cyclopropyl)amino]ethanol
SMILESOCCN(CC=CCl)C1CC1
InChIInChI=1S/C8H14ClNO/c9-4-1-5-10(6-7-11)8-2-3-8/h1,4,8,11H,2-3,5-7H2
InChIKeyVPAAYKGMMGQFQI-UHFFFAOYSA-N
MW175.66 g/mol
LogP1.20
Rot. Bonds5

About 2-[3-chloroprop-2-enyl(cyclopropyl)amino]ethanol

2-[3-chloroprop-2-enyl(cyclopropyl)amino]ethanol (PubChem CID 76890342) has the molecular formula C8H14ClNO and a molecular weight of 175.66 g/mol. Its IUPAC name is 2-[3-chloroprop-2-enyl(cyclopropyl)amino]ethanol.

Molecular Properties

Compound Name2-[3-chloroprop-2-enyl(cyclopropyl)amino]ethanol
PubChem CID76890342
Molecular FormulaC8H14ClNO
Molecular Weight175.66 g/mol
Exact Mass175.08
IUPAC Name2-[3-chloroprop-2-enyl(cyclopropyl)amino]ethanol
SMILESOCCN(CC=CCl)C1CC1
InChIInChI=1S/C8H14ClNO/c9-4-1-5-10(6-7-11)8-2-3-8/h1,4,8,11H,2-3,5-7H2
InChIKeyVPAAYKGMMGQFQI-UHFFFAOYSA-N
XLogP1.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.66
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[Cyclopropyl(prop-2-enyl)amino]ethanol
CID 60774782
2-[3-Chloroprop-2-enyl(propyl)amino]ethanol
CID 76890282
2-[Butyl(3-chloroprop-2-enyl)amino]ethanol
CID 76932280
2-[3-Chloroprop-2-enyl(pentan-3-yl)amino]ethanol
CID 76932283
2-[3-Chloroprop-2-enyl(propan-2-yl)amino]ethanol
CID 76932416
2-[4-Chlorobut-2-enyl(propan-2-yl)amino]ethanol
CID 77051408
2-[4-Chlorobut-2-enyl(cyclopropyl)amino]ethanol
CID 77051409
2-[4-Chlorobut-2-enyl(pentan-3-yl)amino]ethanol
CID 77051466
2-[4-Chlorobut-2-enyl(propyl)amino]ethanol
CID 77051740
2-[Cyclopropyl(2,3-dichloroprop-2-enyl)amino]ethanol
CID 79173392
2-[[(E)-3-chloroprop-2-enyl]-cyclobutylamino]ethanol
CID 102676507
2-[[(E)-4-chlorobut-2-enyl]-cyclobutylamino]ethanol
CID 102869443

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloroprop-2-enyl(cyclopropyl)amino]ethanol?
The IUPAC name of 2-[3-chloroprop-2-enyl(cyclopropyl)amino]ethanol (CID 76890342) is 2-[3-chloroprop-2-enyl(cyclopropyl)amino]ethanol.
What is the SMILES notation for 2-[3-chloroprop-2-enyl(cyclopropyl)amino]ethanol?
The canonical SMILES for 2-[3-chloroprop-2-enyl(cyclopropyl)amino]ethanol is OCCN(CC=CCl)C1CC1.
What is the InChIKey of 2-[3-chloroprop-2-enyl(cyclopropyl)amino]ethanol?
The InChIKey is VPAAYKGMMGQFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClNO/c9-4-1-5-10(6-7-11)8-2-3-8/h1,4,8,11H,2-3,5-7H2.
What are the key properties of 2-[3-chloroprop-2-enyl(cyclopropyl)amino]ethanol?
2-[3-chloroprop-2-enyl(cyclopropyl)amino]ethanol has a molecular weight of 175.66 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloroprop-2-enyl(cyclopropyl)amino]ethanol is sourced from PubChem (CID 76890342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).