2-[butyl-[(2-chlorophenyl)methyl]amino]ethanol

C13H20ClNO — CID 60689529

IUPAC2-[butyl-[(2-chlorophenyl)methyl]amino]ethanol
SMILESCCCCN(CCO)Cc1ccccc1Cl
InChIInChI=1S/C13H20ClNO/c1-2-3-8-15(9-10-16)11-12-6-4-5-7-13(12)14/h4-7,16H,2-3,8-11H2,1H3
InChIKeyLDRJNSLHANEYMI-UHFFFAOYSA-N
MW241.76 g/mol
LogP2.93
Rot. Bonds7

About 2-[butyl-[(2-chlorophenyl)methyl]amino]ethanol

2-[butyl-[(2-chlorophenyl)methyl]amino]ethanol (PubChem CID 60689529) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 2-[butyl-[(2-chlorophenyl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[butyl-[(2-chlorophenyl)methyl]amino]ethanol
PubChem CID60689529
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name2-[butyl-[(2-chlorophenyl)methyl]amino]ethanol
SMILESCCCCN(CCO)Cc1ccccc1Cl
InChIInChI=1S/C13H20ClNO/c1-2-3-8-15(9-10-16)11-12-6-4-5-7-13(12)14/h4-7,16H,2-3,8-11H2,1H3
InChIKeyLDRJNSLHANEYMI-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[butyl-[(2-chloro-3-pyridinyl)methyl]amino]ethanol
CID 62469822
2-[[3-(aminomethyl)-2-fluorophenyl]methyl-butylamino]ethanol
CID 107113234
2-[2-(2-chlorophenyl)ethyl-propylamino]ethanol
CID 110909893
2-[[butyl(2-hydroxyethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 61446175
2-[butyl-[(3,4-dichlorophenyl)methyl]amino]ethanol
CID 60689446
2-[2-[(dibutylamino)methyl]phenyl]acetic acid
CID 115462548
2-[benzyl(nonyl)amino]ethanol
CID 63469962
2-[(2-chloro-5-fluorophenyl)methyl-propylamino]ethanol
CID 102609322
N'-(2-aminoethyl)-N'-[(2-chlorophenyl)methyl]ethane-1,2-diamine
CID 62922224
2-[2-hydroxyethyl-[(2-methylphenyl)methyl]amino]ethanol
CID 44719349
3-[(dibutylamino)methyl]benzene-1,2-diol
CID 15553610
2-[(2-chloro-3-pyridinyl)methyl-propylamino]ethanol
CID 62470914

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[(2-chlorophenyl)methyl]amino]ethanol?
The IUPAC name of 2-[butyl-[(2-chlorophenyl)methyl]amino]ethanol (CID 60689529) is 2-[butyl-[(2-chlorophenyl)methyl]amino]ethanol.
What is the SMILES notation for 2-[butyl-[(2-chlorophenyl)methyl]amino]ethanol?
The canonical SMILES for 2-[butyl-[(2-chlorophenyl)methyl]amino]ethanol is CCCCN(CCO)Cc1ccccc1Cl.
What is the InChIKey of 2-[butyl-[(2-chlorophenyl)methyl]amino]ethanol?
The InChIKey is LDRJNSLHANEYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-2-3-8-15(9-10-16)11-12-6-4-5-7-13(12)14/h4-7,16H,2-3,8-11H2,1H3.
What are the key properties of 2-[butyl-[(2-chlorophenyl)methyl]amino]ethanol?
2-[butyl-[(2-chlorophenyl)methyl]amino]ethanol has a molecular weight of 241.76 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-[(2-chlorophenyl)methyl]amino]ethanol is sourced from PubChem (CID 60689529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).