2-[2-chloro-6-[(cyclopropylamino)methyl]-N-ethylanilino]ethanol

C14H21ClN2O — CID 114068233

IUPAC2-[2-chloro-6-[(cyclopropylamino)methyl]-N-ethylanilino]ethanol
SMILESCCN(CCO)c1c(Cl)cccc1CNC1CC1
InChIInChI=1S/C14H21ClN2O/c1-2-17(8-9-18)14-11(4-3-5-13(14)15)10-16-12-6-7-12/h3-5,12,16,18H,2,6-10H2,1H3
InChIKeyXLGHMDZUPLNTAO-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.41
Rot. Bonds7

About 2-[2-chloro-6-[(cyclopropylamino)methyl]-N-ethylanilino]ethanol

2-[2-chloro-6-[(cyclopropylamino)methyl]-N-ethylanilino]ethanol (PubChem CID 114068233) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 2-[2-chloro-6-[(cyclopropylamino)methyl]-N-ethylanilino]ethanol.

Molecular Properties

Compound Name2-[2-chloro-6-[(cyclopropylamino)methyl]-N-ethylanilino]ethanol
PubChem CID114068233
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name2-[2-chloro-6-[(cyclopropylamino)methyl]-N-ethylanilino]ethanol
SMILESCCN(CCO)c1c(Cl)cccc1CNC1CC1
InChIInChI=1S/C14H21ClN2O/c1-2-17(8-9-18)14-11(4-3-5-13(14)15)10-16-12-6-7-12/h3-5,12,16,18H,2,6-10H2,1H3
InChIKeyXLGHMDZUPLNTAO-UHFFFAOYSA-N
XLogP2.41
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-2-chloro-N-ethyl-6-(methylaminomethyl)aniline
CID 114068112
N-[(2,3-dichlorophenyl)methyl]cyclopropanamine;hydrochloride
CID 46835187
4-[(2-chloro-6-ethylphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 120509713
2-[2-[(cyclopropylamino)methyl]-N-propan-2-ylanilino]ethanol
CID 54994770
3-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]butan-2-ol
CID 112609944
2-(2-chloro-N-ethylanilino)ethanol
CID 70558139
N-[(2,6-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 63454775
4-[(3-chloro-2-fluorophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 114489051
N-[[3-chloro-2-(2-methylidenebutoxy)phenyl]methyl]cyclopropanamine
CID 112609951
N-[(3-chloro-2-methylphenyl)methyl]cyclohexanamine
CID 107096673
2-chloro-N-ethyl-6-(methylaminomethyl)-N-(2-methylbutyl)aniline
CID 114068616
3-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-propylaniline
CID 43281893

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-[(cyclopropylamino)methyl]-N-ethylanilino]ethanol?
The IUPAC name of 2-[2-chloro-6-[(cyclopropylamino)methyl]-N-ethylanilino]ethanol (CID 114068233) is 2-[2-chloro-6-[(cyclopropylamino)methyl]-N-ethylanilino]ethanol.
What is the SMILES notation for 2-[2-chloro-6-[(cyclopropylamino)methyl]-N-ethylanilino]ethanol?
The canonical SMILES for 2-[2-chloro-6-[(cyclopropylamino)methyl]-N-ethylanilino]ethanol is CCN(CCO)c1c(Cl)cccc1CNC1CC1.
What is the InChIKey of 2-[2-chloro-6-[(cyclopropylamino)methyl]-N-ethylanilino]ethanol?
The InChIKey is XLGHMDZUPLNTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-2-17(8-9-18)14-11(4-3-5-13(14)15)10-16-12-6-7-12/h3-5,12,16,18H,2,6-10H2,1H3.
What are the key properties of 2-[2-chloro-6-[(cyclopropylamino)methyl]-N-ethylanilino]ethanol?
2-[2-chloro-6-[(cyclopropylamino)methyl]-N-ethylanilino]ethanol has a molecular weight of 268.79 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-6-[(cyclopropylamino)methyl]-N-ethylanilino]ethanol is sourced from PubChem (CID 114068233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).