N-[(E)-(3-bromo-4-ethoxyphenyl)methylideneamino]-N-methylmethanamine

C11H15BrN2O — CID 110507418

IUPACN-[(E)-(3-bromo-4-ethoxyphenyl)methylideneamino]-N-methylmethanamine
SMILESCCOc1ccc(/C=N/N(C)C)cc1Br
InChIInChI=1S/C11H15BrN2O/c1-4-15-11-6-5-9(7-10(11)12)8-13-14(2)3/h5-8H,4H2,1-3H3/b13-8+
InChIKeyQDGJXSOUYSLBRS-MDWZMJQESA-N
MW271.16 g/mol
LogP2.74
Rot. Bonds4

About N-[(E)-(3-bromo-4-ethoxyphenyl)methylideneamino]-N-methylmethanamine

N-[(E)-(3-bromo-4-ethoxyphenyl)methylideneamino]-N-methylmethanamine (PubChem CID 110507418) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is N-[(E)-(3-bromo-4-ethoxyphenyl)methylideneamino]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(E)-(3-bromo-4-ethoxyphenyl)methylideneamino]-N-methylmethanamine
PubChem CID110507418
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC NameN-[(E)-(3-bromo-4-ethoxyphenyl)methylideneamino]-N-methylmethanamine
SMILESCCOc1ccc(/C=N/N(C)C)cc1Br
InChIInChI=1S/C11H15BrN2O/c1-4-15-11-6-5-9(7-10(11)12)8-13-14(2)3/h5-8H,4H2,1-3H3/b13-8+
InChIKeyQDGJXSOUYSLBRS-MDWZMJQESA-N
XLogP2.74
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(3-bromo-4-propoxyphenyl)methylideneamino]-N-methylmethanamine
CID 110507419
N-[(E)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]-N-methylmethanamine
CID 110339972
N-[[3-bromo-4-[2-(2-ethoxyphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 20985545
1-[(3-bromo-4-ethoxyphenyl)methylideneamino]-3-ethylthiourea
CID 4021218
2,4-bis[(Z)-(dimethylhydrazinylidene)methyl]-6-ethoxyphenol
CID 135436333
(NZ)-N-[(3-bromo-4-ethoxyphenyl)methylidene]thiophene-2-sulfonamide
CID 110518572
N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-N-methylmethanamine
CID 110338371
N-[(E)-(2,4-diethoxyphenyl)methylideneamino]-N-methylmethanamine
CID 110507423
2-(4-aminophenyl)-N-[(Z)-(3-bromo-4-ethoxyphenyl)methylideneamino]acetamide
CID 110515152
N'-[(Z)-(3-bromo-4-ethoxyphenyl)methylideneamino]-N-prop-2-enyloxamide
CID 8931683
2-bromo-1-ethoxy-4-methylbenzene;ethane
CID 143442482
(3-bromo-4-ethoxyphenyl)-pentafluoro-λ6-sulfane
CID 146327549

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-bromo-4-ethoxyphenyl)methylideneamino]-N-methylmethanamine?
The IUPAC name of N-[(E)-(3-bromo-4-ethoxyphenyl)methylideneamino]-N-methylmethanamine (CID 110507418) is N-[(E)-(3-bromo-4-ethoxyphenyl)methylideneamino]-N-methylmethanamine.
What is the SMILES notation for N-[(E)-(3-bromo-4-ethoxyphenyl)methylideneamino]-N-methylmethanamine?
The canonical SMILES for N-[(E)-(3-bromo-4-ethoxyphenyl)methylideneamino]-N-methylmethanamine is CCOc1ccc(/C=N/N(C)C)cc1Br.
What is the InChIKey of N-[(E)-(3-bromo-4-ethoxyphenyl)methylideneamino]-N-methylmethanamine?
The InChIKey is QDGJXSOUYSLBRS-MDWZMJQESA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-4-15-11-6-5-9(7-10(11)12)8-13-14(2)3/h5-8H,4H2,1-3H3/b13-8+.
What are the key properties of N-[(E)-(3-bromo-4-ethoxyphenyl)methylideneamino]-N-methylmethanamine?
N-[(E)-(3-bromo-4-ethoxyphenyl)methylideneamino]-N-methylmethanamine has a molecular weight of 271.16 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-bromo-4-ethoxyphenyl)methylideneamino]-N-methylmethanamine is sourced from PubChem (CID 110507418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).