2-[(6-bromonaphthalen-2-yl)oxymethyl]-N-methylprop-2-en-1-amine

C15H16BrNO — CID 103066721

IUPAC2-[(6-bromonaphthalen-2-yl)oxymethyl]-N-methylprop-2-en-1-amine
SMILESC=C(CNC)COc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C15H16BrNO/c1-11(9-17-2)10-18-15-6-4-12-7-14(16)5-3-13(12)8-15/h3-8,17H,1,9-10H2,2H3
InChIKeyVQYNCQXKOSHGRO-UHFFFAOYSA-N
MW306.20 g/mol
LogP3.76
Rot. Bonds5

About 2-[(6-bromonaphthalen-2-yl)oxymethyl]-N-methylprop-2-en-1-amine

2-[(6-bromonaphthalen-2-yl)oxymethyl]-N-methylprop-2-en-1-amine (PubChem CID 103066721) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is 2-[(6-bromonaphthalen-2-yl)oxymethyl]-N-methylprop-2-en-1-amine.

Molecular Properties

Compound Name2-[(6-bromonaphthalen-2-yl)oxymethyl]-N-methylprop-2-en-1-amine
PubChem CID103066721
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC Name2-[(6-bromonaphthalen-2-yl)oxymethyl]-N-methylprop-2-en-1-amine
SMILESC=C(CNC)COc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C15H16BrNO/c1-11(9-17-2)10-18-15-6-4-12-7-14(16)5-3-13(12)8-15/h3-8,17H,1,9-10H2,2H3
InChIKeyVQYNCQXKOSHGRO-UHFFFAOYSA-N
XLogP3.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(6-bromonaphthalen-2-yl)oxymethyl]-N-methylprop-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-methoxyphenoxy)methyl]-N-methylprop-2-en-1-amine
CID 103066711
2-[(4-chloro-3-methylphenoxy)methyl]-N-methylprop-2-en-1-amine
CID 103066340
2-[(3-fluorophenoxy)methyl]-N-methylprop-2-en-1-amine
CID 103066700
6-(6-bromonaphthalen-2-yl)oxy-N-methylhexan-1-amine
CID 10133896
2-[(3-ethylphenoxy)methyl]-N-methylprop-2-en-1-amine
CID 103066426
6-(6-bromonaphthalen-2-yl)oxy-N-methylhexan-1-amine;hydrochloride
CID 10133895
2-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]-N-ethylacetamide
CID 9231222
N-[4-[2-(methylaminomethyl)prop-2-enoxy]phenyl]acetamide
CID 103074266
3-(6-bromonaphthalen-2-yl)oxy-N,2,2-trimethylpropan-1-amine
CID 79628620
2-bromo-7-ethoxynaphthalene
CID 22240149
2-(6-bromonaphthalen-2-yl)oxy-N-(2-methylpropyl)acetamide
CID 3989542
2-(6-bromonaphthalen-2-yl)oxy-N-(3,5-dimethylphenyl)acetamide
CID 7786804

Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromonaphthalen-2-yl)oxymethyl]-N-methylprop-2-en-1-amine?
The IUPAC name of 2-[(6-bromonaphthalen-2-yl)oxymethyl]-N-methylprop-2-en-1-amine (CID 103066721) is 2-[(6-bromonaphthalen-2-yl)oxymethyl]-N-methylprop-2-en-1-amine.
What is the SMILES notation for 2-[(6-bromonaphthalen-2-yl)oxymethyl]-N-methylprop-2-en-1-amine?
The canonical SMILES for 2-[(6-bromonaphthalen-2-yl)oxymethyl]-N-methylprop-2-en-1-amine is C=C(CNC)COc1ccc2cc(Br)ccc2c1.
What is the InChIKey of 2-[(6-bromonaphthalen-2-yl)oxymethyl]-N-methylprop-2-en-1-amine?
The InChIKey is VQYNCQXKOSHGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO/c1-11(9-17-2)10-18-15-6-4-12-7-14(16)5-3-13(12)8-15/h3-8,17H,1,9-10H2,2H3.
What are the key properties of 2-[(6-bromonaphthalen-2-yl)oxymethyl]-N-methylprop-2-en-1-amine?
2-[(6-bromonaphthalen-2-yl)oxymethyl]-N-methylprop-2-en-1-amine has a molecular weight of 306.20 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromonaphthalen-2-yl)oxymethyl]-N-methylprop-2-en-1-amine is sourced from PubChem (CID 103066721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).