1-(3-bromo-5-prop-1-en-2-ylphenyl)-N-methoxymethanamine

C11H14BrNO — CID 117393283

IUPAC1-(3-bromo-5-prop-1-en-2-ylphenyl)-N-methoxymethanamine
SMILESC=C(C)c1cc(Br)cc(CNOC)c1
InChIInChI=1S/C11H14BrNO/c1-8(2)10-4-9(7-13-14-3)5-11(12)6-10/h4-6,13H,1,7H2,2-3H3
InChIKeyGOPQSUBHAHJWAM-UHFFFAOYSA-N
MW256.14 g/mol
LogP3.13
Rot. Bonds4

About 1-(3-bromo-5-prop-1-en-2-ylphenyl)-N-methoxymethanamine

1-(3-bromo-5-prop-1-en-2-ylphenyl)-N-methoxymethanamine (PubChem CID 117393283) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is 1-(3-bromo-5-prop-1-en-2-ylphenyl)-N-methoxymethanamine.

Molecular Properties

Compound Name1-(3-bromo-5-prop-1-en-2-ylphenyl)-N-methoxymethanamine
PubChem CID117393283
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name1-(3-bromo-5-prop-1-en-2-ylphenyl)-N-methoxymethanamine
SMILESC=C(C)c1cc(Br)cc(CNOC)c1
InChIInChI=1S/C11H14BrNO/c1-8(2)10-4-9(7-13-14-3)5-11(12)6-10/h4-6,13H,1,7H2,2-3H3
InChIKeyGOPQSUBHAHJWAM-UHFFFAOYSA-N
XLogP3.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3-bromo-5-prop-1-en-2-ylphenyl)-N-methoxymethanamine 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-(3-bromo-5-prop-1-en-2-ylphenyl)ethanol
CID 117354295
O-[2-(3-bromo-5-prop-1-en-2-ylphenyl)ethyl]hydroxylamine
CID 117393277
3-(3-bromo-5-prop-1-en-2-ylphenyl)propanal
CID 117385056
4-bromo-2-ethyl-6-[(methoxyamino)methyl]phenol
CID 117404007
1-(3,5-dimethylphenyl)-N-methoxymethanamine
CID 60702400
1-bromo-3-tert-butyl-5-prop-1-en-2-ylbenzene
CID 86719126
N-[(3-bromo-5-prop-1-en-2-ylphenyl)methyl]-1-(4-tert-butylphenyl)-N-methylmethanamine
CID 18509445
1-(3-bromo-4,5-difluorophenyl)-N-methoxymethanamine
CID 117383021
2,6-difluoro-4-[(methoxyamino)methyl]phenol
CID 82707251
(3-bromo-5-methoxycarbonylphenyl)methyl-trifluoroboranuide
CID 171374074
N-methoxy-1-(3,4,5-trifluorophenyl)methanamine
CID 82706221
1-(3-ethyl-5-fluorophenyl)-N-methoxymethanamine
CID 117279572

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-prop-1-en-2-ylphenyl)-N-methoxymethanamine?
The IUPAC name of 1-(3-bromo-5-prop-1-en-2-ylphenyl)-N-methoxymethanamine (CID 117393283) is 1-(3-bromo-5-prop-1-en-2-ylphenyl)-N-methoxymethanamine.
What is the SMILES notation for 1-(3-bromo-5-prop-1-en-2-ylphenyl)-N-methoxymethanamine?
The canonical SMILES for 1-(3-bromo-5-prop-1-en-2-ylphenyl)-N-methoxymethanamine is C=C(C)c1cc(Br)cc(CNOC)c1.
What is the InChIKey of 1-(3-bromo-5-prop-1-en-2-ylphenyl)-N-methoxymethanamine?
The InChIKey is GOPQSUBHAHJWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-8(2)10-4-9(7-13-14-3)5-11(12)6-10/h4-6,13H,1,7H2,2-3H3.
What are the key properties of 1-(3-bromo-5-prop-1-en-2-ylphenyl)-N-methoxymethanamine?
1-(3-bromo-5-prop-1-en-2-ylphenyl)-N-methoxymethanamine has a molecular weight of 256.14 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-prop-1-en-2-ylphenyl)-N-methoxymethanamine is sourced from PubChem (CID 117393283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).