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

C8H16ClNO — CID 76890282

IUPAC2-[3-chloroprop-2-enyl(propyl)amino]ethanol
SMILESCCCN(CC=CCl)CCO
InChIInChI=1S/C8H16ClNO/c1-2-5-10(7-8-11)6-3-4-9/h3-4,11H,2,5-8H2,1H3
InChIKeyXOXDIRFNVPLEIJ-UHFFFAOYSA-N
MW177.68 g/mol
LogP1.44
Rot. Bonds6

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

2-[3-chloroprop-2-enyl(propyl)amino]ethanol (PubChem CID 76890282) has the molecular formula C8H16ClNO and a molecular weight of 177.68 g/mol. Its IUPAC name is 2-[3-chloroprop-2-enyl(propyl)amino]ethanol.

Molecular Properties

Compound Name2-[3-chloroprop-2-enyl(propyl)amino]ethanol
PubChem CID76890282
Molecular FormulaC8H16ClNO
Molecular Weight177.68 g/mol
Exact Mass177.09
IUPAC Name2-[3-chloroprop-2-enyl(propyl)amino]ethanol
SMILESCCCN(CC=CCl)CCO
InChIInChI=1S/C8H16ClNO/c1-2-5-10(7-8-11)6-3-4-9/h3-4,11H,2,5-8H2,1H3
InChIKeyXOXDIRFNVPLEIJ-UHFFFAOYSA-N
XLogP1.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.68
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Propen-1-aminium, N-(3-chloro-2-hydroxypropyl)-N,N-dimethyl-, chloride (1:1)
CID 116684
Allyl dimethyl hydroxyethylammonium chloride
CID 14327232
3-Chloro-2-hydroxypropylmethyldiallylammonium chloride
CID 129832571
(3-Chloro-2-hydroxypropyl)-dimethyl-prop-2-enylazanium
CID 116685
1-[Bis(prop-2-enyl)amino]-3-chloropropan-2-ol;hydrochloride
CID 21972138
2-{Bis[(2Z)-3-chlorobut-2-en-1-yl]amino}ethan-1-ol
CID 35794168
1-[Bis(prop-2-enyl)amino]-3-chloropropan-2-ol
CID 12922588
2-Hydroxyethyl-methyl-bis(prop-2-enyl)azanium
CID 13778202
(3-Chloro-2-hydroxypropyl)-methyl-bis(prop-2-enyl)azanium
CID 18185565
(3-Chloro-2-hydroxypropyl)-ethyl-bis(prop-2-enyl)azanium
CID 19877731
Ethyl-(2-hydroxyethyl)-bis(prop-2-enyl)azanium chloride
CID 21393128
Ethyl-(2-hydroxyethyl)-bis(prop-2-enyl)azanium
CID 21393129

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloroprop-2-enyl(propyl)amino]ethanol?
The IUPAC name of 2-[3-chloroprop-2-enyl(propyl)amino]ethanol (CID 76890282) is 2-[3-chloroprop-2-enyl(propyl)amino]ethanol.
What is the SMILES notation for 2-[3-chloroprop-2-enyl(propyl)amino]ethanol?
The canonical SMILES for 2-[3-chloroprop-2-enyl(propyl)amino]ethanol is CCCN(CC=CCl)CCO.
What is the InChIKey of 2-[3-chloroprop-2-enyl(propyl)amino]ethanol?
The InChIKey is XOXDIRFNVPLEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO/c1-2-5-10(7-8-11)6-3-4-9/h3-4,11H,2,5-8H2,1H3.
What are the key properties of 2-[3-chloroprop-2-enyl(propyl)amino]ethanol?
2-[3-chloroprop-2-enyl(propyl)amino]ethanol has a molecular weight of 177.68 g/mol, XLogP of 1.44, 6 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(propyl)amino]ethanol is sourced from PubChem (CID 76890282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).