N-[(6-bromo-2H-chromen-3-yl)methyl]-2-ethoxyethanamine

C14H18BrNO2 — CID 119108103

IUPACN-[(6-bromo-2H-chromen-3-yl)methyl]-2-ethoxyethanamine
SMILESCCOCCNCC1=Cc2cc(Br)ccc2OC1
InChIInChI=1S/C14H18BrNO2/c1-2-17-6-5-16-9-11-7-12-8-13(15)3-4-14(12)18-10-11/h3-4,7-8,16H,2,5-6,9-10H2,1H3
InChIKeyFLJQPRPRBZZJJJ-UHFFFAOYSA-N
MW312.21 g/mol
LogP2.85
Rot. Bonds6

About N-[(6-bromo-2H-chromen-3-yl)methyl]-2-ethoxyethanamine

N-[(6-bromo-2H-chromen-3-yl)methyl]-2-ethoxyethanamine (PubChem CID 119108103) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is N-[(6-bromo-2H-chromen-3-yl)methyl]-2-ethoxyethanamine.

Molecular Properties

Compound NameN-[(6-bromo-2H-chromen-3-yl)methyl]-2-ethoxyethanamine
PubChem CID119108103
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC NameN-[(6-bromo-2H-chromen-3-yl)methyl]-2-ethoxyethanamine
SMILESCCOCCNCC1=Cc2cc(Br)ccc2OC1
InChIInChI=1S/C14H18BrNO2/c1-2-17-6-5-16-9-11-7-12-8-13(15)3-4-14(12)18-10-11/h3-4,7-8,16H,2,5-6,9-10H2,1H3
InChIKeyFLJQPRPRBZZJJJ-UHFFFAOYSA-N
XLogP2.85
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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N-{2-[2-(2-bromo-4-methylphenoxy)ethoxy]ethyl}-3-methoxy-1-propanamine
CID 2297958
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CID 2298401
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CID 2923218
N-[4-(4-bromo-2-methylphenoxy)butyl]-2-propen-1-amine oxalate
CID 2923255
CID 2923418
CID 2923418
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CID 2924472

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromo-2H-chromen-3-yl)methyl]-2-ethoxyethanamine?
The IUPAC name of N-[(6-bromo-2H-chromen-3-yl)methyl]-2-ethoxyethanamine (CID 119108103) is N-[(6-bromo-2H-chromen-3-yl)methyl]-2-ethoxyethanamine.
What is the SMILES notation for N-[(6-bromo-2H-chromen-3-yl)methyl]-2-ethoxyethanamine?
The canonical SMILES for N-[(6-bromo-2H-chromen-3-yl)methyl]-2-ethoxyethanamine is CCOCCNCC1=Cc2cc(Br)ccc2OC1.
What is the InChIKey of N-[(6-bromo-2H-chromen-3-yl)methyl]-2-ethoxyethanamine?
The InChIKey is FLJQPRPRBZZJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c1-2-17-6-5-16-9-11-7-12-8-13(15)3-4-14(12)18-10-11/h3-4,7-8,16H,2,5-6,9-10H2,1H3.
What are the key properties of N-[(6-bromo-2H-chromen-3-yl)methyl]-2-ethoxyethanamine?
N-[(6-bromo-2H-chromen-3-yl)methyl]-2-ethoxyethanamine has a molecular weight of 312.21 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromo-2H-chromen-3-yl)methyl]-2-ethoxyethanamine is sourced from PubChem (CID 119108103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).