2-[2-(2-chlorophenyl)ethyl-propylamino]ethanol

C13H20ClNO — CID 110909893

IUPAC2-[2-(2-chlorophenyl)ethyl-propylamino]ethanol
SMILESCCCN(CCO)CCc1ccccc1Cl
InChIInChI=1S/C13H20ClNO/c1-2-8-15(10-11-16)9-7-12-5-3-4-6-13(12)14/h3-6,16H,2,7-11H2,1H3
InChIKeyMFLRCSBRMWJUGN-UHFFFAOYSA-N
MW241.76 g/mol
LogP2.59
Rot. Bonds7

About 2-[2-(2-chlorophenyl)ethyl-propylamino]ethanol

2-[2-(2-chlorophenyl)ethyl-propylamino]ethanol (PubChem CID 110909893) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)ethyl-propylamino]ethanol.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)ethyl-propylamino]ethanol
PubChem CID110909893
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name2-[2-(2-chlorophenyl)ethyl-propylamino]ethanol
SMILESCCCN(CCO)CCc1ccccc1Cl
InChIInChI=1S/C13H20ClNO/c1-2-8-15(10-11-16)9-7-12-5-3-4-6-13(12)14/h3-6,16H,2,7-11H2,1H3
InChIKeyMFLRCSBRMWJUGN-UHFFFAOYSA-N
XLogP2.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)ethanol;ethane
CID 142279480
2-[butyl-[(2-chlorophenyl)methyl]amino]ethanol
CID 60689529
N-(2-chlorophenyl)-3-[2-hydroxyethyl(propyl)amino]propanamide
CID 60774874
2-[(2-chloro-5-fluorophenyl)methyl-propylamino]ethanol
CID 102609322
3-[2-[[2-hydroxyethyl(propyl)amino]methyl]phenyl]prop-2-yn-1-ol
CID 54970074
2-[(2-chloro-3-pyridinyl)methyl-propylamino]ethanol
CID 62470914
azane;1-butyl-2-chlorobenzene
CID 19011342
2-[(2-chloroquinolin-3-yl)methyl-propylamino]ethanol
CID 60692441
2-[[3-(aminomethyl)-2-fluorophenyl]methyl-propylamino]ethanol
CID 107113213
4-chloro-2-[2-(dipropylamino)ethyl]phenol
CID 10491251
1-[(2-chlorophenyl)methyl]-3-[2-[ethyl(propyl)amino]ethyl]-2-methylguanidine
CID 111835467
N-[2-(4-chlorophenyl)ethyl]-N-(2-phenylethyl)propan-1-amine
CID 11370098

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)ethyl-propylamino]ethanol?
The IUPAC name of 2-[2-(2-chlorophenyl)ethyl-propylamino]ethanol (CID 110909893) is 2-[2-(2-chlorophenyl)ethyl-propylamino]ethanol.
What is the SMILES notation for 2-[2-(2-chlorophenyl)ethyl-propylamino]ethanol?
The canonical SMILES for 2-[2-(2-chlorophenyl)ethyl-propylamino]ethanol is CCCN(CCO)CCc1ccccc1Cl.
What is the InChIKey of 2-[2-(2-chlorophenyl)ethyl-propylamino]ethanol?
The InChIKey is MFLRCSBRMWJUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-2-8-15(10-11-16)9-7-12-5-3-4-6-13(12)14/h3-6,16H,2,7-11H2,1H3.
What are the key properties of 2-[2-(2-chlorophenyl)ethyl-propylamino]ethanol?
2-[2-(2-chlorophenyl)ethyl-propylamino]ethanol has a molecular weight of 241.76 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)ethyl-propylamino]ethanol is sourced from PubChem (CID 110909893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).