2-[(2-chloro-5-nitrophenyl)methyl-methylamino]ethanol

C10H13ClN2O3 — CID 60960383

IUPAC2-[(2-chloro-5-nitrophenyl)methyl-methylamino]ethanol
SMILESCN(CCO)Cc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C10H13ClN2O3/c1-12(4-5-14)7-8-6-9(13(15)16)2-3-10(8)11/h2-3,6,14H,4-5,7H2,1H3
InChIKeyUXCSHKHBGXFGFP-UHFFFAOYSA-N
MW244.68 g/mol
LogP1.67
Rot. Bonds5

About 2-[(2-chloro-5-nitrophenyl)methyl-methylamino]ethanol

2-[(2-chloro-5-nitrophenyl)methyl-methylamino]ethanol (PubChem CID 60960383) has the molecular formula C10H13ClN2O3 and a molecular weight of 244.68 g/mol. Its IUPAC name is 2-[(2-chloro-5-nitrophenyl)methyl-methylamino]ethanol.

Molecular Properties

Compound Name2-[(2-chloro-5-nitrophenyl)methyl-methylamino]ethanol
PubChem CID60960383
Molecular FormulaC10H13ClN2O3
Molecular Weight244.68 g/mol
Exact Mass244.06
IUPAC Name2-[(2-chloro-5-nitrophenyl)methyl-methylamino]ethanol
SMILESCN(CCO)Cc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C10H13ClN2O3/c1-12(4-5-14)7-8-6-9(13(15)16)2-3-10(8)11/h2-3,6,14H,4-5,7H2,1H3
InChIKeyUXCSHKHBGXFGFP-UHFFFAOYSA-N
XLogP1.67
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[2-hydroxyethyl(methyl)amino]methyl]-4-nitrophenol
CID 68609298
2-[(2-chloro-5-nitrophenyl)methyl-methylamino]-N,N-dimethylacetamide
CID 43216548
N-[(2-chloro-5-nitrophenyl)methyl]-2,2-difluoro-N-methylethanamine
CID 115624782
N-[(2-chloro-5-nitrophenyl)methyl]-2,2,2-trifluoro-N-methylethanamine
CID 60733726
3-[(2-chloro-5-nitrophenyl)methyl-ethylamino]propan-1-ol
CID 115666095
2-[(2-chloro-5-nitrophenyl)methyl-(1-methylpiperidin-4-yl)amino]ethanol
CID 111425170
2-[(2-chloro-5-nitrophenyl)methyl-methylamino]-N,N-diethylacetamide
CID 60704014
2-[[(2-chlorophenyl)methyl-methylamino]methyl]-4-nitroaniline
CID 62209688
N-[(2-chloro-5-nitrophenyl)methyl]-N,2-dimethylbutan-2-amine
CID 63983589
2-[(2-chloro-4-nitrophenyl)methyl-ethylamino]ethanol
CID 62021414
N-[(2-chloro-5-nitrophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride
CID 119929870
1-(5-bromothiophen-3-yl)-N-[(2-chloro-5-nitrophenyl)methyl]-N-methylmethanamine
CID 47281195

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5-nitrophenyl)methyl-methylamino]ethanol?
The IUPAC name of 2-[(2-chloro-5-nitrophenyl)methyl-methylamino]ethanol (CID 60960383) is 2-[(2-chloro-5-nitrophenyl)methyl-methylamino]ethanol.
What is the SMILES notation for 2-[(2-chloro-5-nitrophenyl)methyl-methylamino]ethanol?
The canonical SMILES for 2-[(2-chloro-5-nitrophenyl)methyl-methylamino]ethanol is CN(CCO)Cc1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of 2-[(2-chloro-5-nitrophenyl)methyl-methylamino]ethanol?
The InChIKey is UXCSHKHBGXFGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O3/c1-12(4-5-14)7-8-6-9(13(15)16)2-3-10(8)11/h2-3,6,14H,4-5,7H2,1H3.
What are the key properties of 2-[(2-chloro-5-nitrophenyl)methyl-methylamino]ethanol?
2-[(2-chloro-5-nitrophenyl)methyl-methylamino]ethanol has a molecular weight of 244.68 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-5-nitrophenyl)methyl-methylamino]ethanol is sourced from PubChem (CID 60960383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).