4-[2-(methoxyamino)ethyl]aniline

C9H14N2O — CID 143701980

IUPAC4-[2-(methoxyamino)ethyl]aniline
SMILESCONCCc1ccc(N)cc1
InChIInChI=1S/C9H14N2O/c1-12-11-7-6-8-2-4-9(10)5-3-8/h2-5,11H,6-7,10H2,1H3
InChIKeyMSLOKDNJAGSPAV-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.96
Rot. Bonds4

About 4-[2-(methoxyamino)ethyl]aniline

4-[2-(methoxyamino)ethyl]aniline (PubChem CID 143701980) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 4-[2-(methoxyamino)ethyl]aniline.

Molecular Properties

Compound Name4-[2-(methoxyamino)ethyl]aniline
PubChem CID143701980
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name4-[2-(methoxyamino)ethyl]aniline
SMILESCONCCc1ccc(N)cc1
InChIInChI=1S/C9H14N2O/c1-12-11-7-6-8-2-4-9(10)5-3-8/h2-5,11H,6-7,10H2,1H3
InChIKeyMSLOKDNJAGSPAV-UHFFFAOYSA-N
XLogP0.96
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[2-[(1-methylcyclopentyl)amino]ethyl]aniline
CID 64687654
N-methoxy-2-[4-(phenylsulfanylmethyl)phenyl]ethanamine
CID 143451412
formamide;methoxymethane;4-[2-(methylamino)ethyl]aniline;methylphosphane;1,4-xylene
CID 167454617
dimethyl 2-[[2-(4-aminophenyl)ethylamino]-methoxymethyl]propanedioate
CID 154660277
N-[2-(4-aminophenyl)ethyl]-2-oxopropanamide
CID 110478416
4-[2-(octylamino)ethyl]aniline
CID 113337418
N-[2-(4-aminophenyl)ethyl]-3-methoxypropane-1-sulfonamide
CID 63290076
N-[2-(4-aminophenyl)ethyl]-N'-[2-(3,4-dimethoxyphenyl)ethyl]hexane-1,6-diamine;trihydrochloride
CID 70044329
4-[12-(2-methoxyethoxy)dodecyl]aniline
CID 163574819
CID 23389090
CID 23389090
4-[(2-methoxyethylamino)methyl]aniline
CID 22569430
1-amino-4-[2-[[2-methoxyethyl(methyl)sulfamoyl]amino]ethyl]benzene
CID 120715672

Frequently Asked Questions

What is the IUPAC name of 4-[2-(methoxyamino)ethyl]aniline?
The IUPAC name of 4-[2-(methoxyamino)ethyl]aniline (CID 143701980) is 4-[2-(methoxyamino)ethyl]aniline.
What is the SMILES notation for 4-[2-(methoxyamino)ethyl]aniline?
The canonical SMILES for 4-[2-(methoxyamino)ethyl]aniline is CONCCc1ccc(N)cc1.
What is the InChIKey of 4-[2-(methoxyamino)ethyl]aniline?
The InChIKey is MSLOKDNJAGSPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-12-11-7-6-8-2-4-9(10)5-3-8/h2-5,11H,6-7,10H2,1H3.
What are the key properties of 4-[2-(methoxyamino)ethyl]aniline?
4-[2-(methoxyamino)ethyl]aniline has a molecular weight of 166.22 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methoxyamino)ethyl]aniline is sourced from PubChem (CID 143701980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).