2-[3-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]ethanol

C13H21ClN2O2 — CID 63059522

IUPAC2-[3-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]ethanol
SMILESCOCCNCc1c(Cl)cccc1N(C)CCO
InChIInChI=1S/C13H21ClN2O2/c1-16(7-8-17)13-5-3-4-12(14)11(13)10-15-6-9-18-2/h3-5,15,17H,6-10H2,1-2H3
InChIKeyRWQKIHMSLNFHNC-UHFFFAOYSA-N
MW272.78 g/mol
LogP1.50
Rot. Bonds8

About 2-[3-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]ethanol

2-[3-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]ethanol (PubChem CID 63059522) has the molecular formula C13H21ClN2O2 and a molecular weight of 272.78 g/mol. Its IUPAC name is 2-[3-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]ethanol.

Molecular Properties

Compound Name2-[3-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]ethanol
PubChem CID63059522
Molecular FormulaC13H21ClN2O2
Molecular Weight272.78 g/mol
Exact Mass272.13
IUPAC Name2-[3-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]ethanol
SMILESCOCCNCc1c(Cl)cccc1N(C)CCO
InChIInChI=1S/C13H21ClN2O2/c1-16(7-8-17)13-5-3-4-12(14)11(13)10-15-6-9-18-2/h3-5,15,17H,6-10H2,1-2H3
InChIKeyRWQKIHMSLNFHNC-UHFFFAOYSA-N
XLogP1.50
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)aniline
CID 112662307
3-[3-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]-N-methylpropanamide
CID 106916724
3-chloro-2-[(2-methoxyethylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 63058645
3-chloro-2-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-methylbutyl)aniline
CID 63060562
N-butyl-3-chloro-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline
CID 63058912
N-butan-2-yl-3-chloro-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline
CID 63058596
3-chloro-2-[(2-methoxyethylamino)methyl]-N-(2-methylpropyl)-N-propan-2-ylaniline
CID 63551760
3-chloro-N-cyclopentyl-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline
CID 63059854
2-[4-[(2-methoxyethylamino)methyl]-N,2-dimethylanilino]ethanol
CID 63058822
2-[2-[(2-methoxyethylamino)methyl]-N,4-dimethylanilino]ethanol
CID 114055007
N-[[2-chloro-6-(2-methoxyethoxy)phenyl]methyl]-2-methoxyethanamine
CID 114320091
N-[(2-chloro-6-propoxyphenyl)methyl]-2-methoxyethanamine
CID 114320190

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]ethanol?
The IUPAC name of 2-[3-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]ethanol (CID 63059522) is 2-[3-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]ethanol.
What is the SMILES notation for 2-[3-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]ethanol?
The canonical SMILES for 2-[3-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]ethanol is COCCNCc1c(Cl)cccc1N(C)CCO.
What is the InChIKey of 2-[3-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]ethanol?
The InChIKey is RWQKIHMSLNFHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O2/c1-16(7-8-17)13-5-3-4-12(14)11(13)10-15-6-9-18-2/h3-5,15,17H,6-10H2,1-2H3.
What are the key properties of 2-[3-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]ethanol?
2-[3-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]ethanol has a molecular weight of 272.78 g/mol, XLogP of 1.50, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]ethanol is sourced from PubChem (CID 63059522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).