2-[(3-chlorophenyl)methyl-propylamino]ethanol

C12H18ClNO — CID 783033

IUPAC2-[(3-chlorophenyl)methyl-propylamino]ethanol
SMILESCCCN(CCO)Cc1cccc(Cl)c1
InChIInChI=1S/C12H18ClNO/c1-2-6-14(7-8-15)10-11-4-3-5-12(13)9-11/h3-5,9,15H,2,6-8,10H2,1H3
InChIKeyYTJFYLBDCBTAKY-UHFFFAOYSA-N
MW227.74 g/mol
LogP2.54
Rot. Bonds6

About 2-[(3-chlorophenyl)methyl-propylamino]ethanol

2-[(3-chlorophenyl)methyl-propylamino]ethanol (PubChem CID 783033) has the molecular formula C12H18ClNO and a molecular weight of 227.74 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl-propylamino]ethanol.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl-propylamino]ethanol
PubChem CID783033
Molecular FormulaC12H18ClNO
Molecular Weight227.74 g/mol
Exact Mass227.11
IUPAC Name2-[(3-chlorophenyl)methyl-propylamino]ethanol
SMILESCCCN(CCO)Cc1cccc(Cl)c1
InChIInChI=1S/C12H18ClNO/c1-2-6-14(7-8-15)10-11-4-3-5-12(13)9-11/h3-5,9,15H,2,6-8,10H2,1H3
InChIKeyYTJFYLBDCBTAKY-UHFFFAOYSA-N
XLogP2.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl-propylamino]ethanol?
The IUPAC name of 2-[(3-chlorophenyl)methyl-propylamino]ethanol (CID 783033) is 2-[(3-chlorophenyl)methyl-propylamino]ethanol.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl-propylamino]ethanol?
The canonical SMILES for 2-[(3-chlorophenyl)methyl-propylamino]ethanol is CCCN(CCO)Cc1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl-propylamino]ethanol?
The InChIKey is YTJFYLBDCBTAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO/c1-2-6-14(7-8-15)10-11-4-3-5-12(13)9-11/h3-5,9,15H,2,6-8,10H2,1H3.
What are the key properties of 2-[(3-chlorophenyl)methyl-propylamino]ethanol?
2-[(3-chlorophenyl)methyl-propylamino]ethanol has a molecular weight of 227.74 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl-propylamino]ethanol is sourced from PubChem (CID 783033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).