1-[3-bromo-4-(2-chloroprop-2-enoxy)phenyl]-N-methylmethanamine

C11H13BrClNO — CID 63044631

IUPAC1-[3-bromo-4-(2-chloroprop-2-enoxy)phenyl]-N-methylmethanamine
SMILESC=C(Cl)COc1ccc(CNC)cc1Br
InChIInChI=1S/C11H13BrClNO/c1-8(13)7-15-11-4-3-9(6-14-2)5-10(11)12/h3-5,14H,1,6-7H2,2H3
InChIKeyHBRNIECPKLBIMQ-UHFFFAOYSA-N
MW290.59 g/mol
LogP3.30
Rot. Bonds5

About 1-[3-bromo-4-(2-chloroprop-2-enoxy)phenyl]-N-methylmethanamine

1-[3-bromo-4-(2-chloroprop-2-enoxy)phenyl]-N-methylmethanamine (PubChem CID 63044631) has the molecular formula C11H13BrClNO and a molecular weight of 290.59 g/mol. Its IUPAC name is 1-[3-bromo-4-(2-chloroprop-2-enoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-bromo-4-(2-chloroprop-2-enoxy)phenyl]-N-methylmethanamine
PubChem CID63044631
Molecular FormulaC11H13BrClNO
Molecular Weight290.59 g/mol
Exact Mass288.99
IUPAC Name1-[3-bromo-4-(2-chloroprop-2-enoxy)phenyl]-N-methylmethanamine
SMILESC=C(Cl)COc1ccc(CNC)cc1Br
InChIInChI=1S/C11H13BrClNO/c1-8(13)7-15-11-4-3-9(6-14-2)5-10(11)12/h3-5,14H,1,6-7H2,2H3
InChIKeyHBRNIECPKLBIMQ-UHFFFAOYSA-N
XLogP3.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.59
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[3-bromo-4-(2-chloroprop-2-enoxy)phenyl]-N-methylmethanamine 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

N-[[3-bromo-4-(2-chloroprop-2-enoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 55146050
2-[2-bromo-4-(methylaminomethyl)phenoxy]-N-methylacetamide
CID 63044978
1-(3-bromo-4-ethoxyphenyl)-N-methylmethanamine
CID 17157575
1-[4-(2-chloroprop-2-enoxy)phenyl]-N-methylmethanamine
CID 60880421
3-[2-bromo-4-(methylaminomethyl)phenoxy]-2,2-dimethylpropanoic acid
CID 79629204
1-[3-bromo-4-(2-ethylbutoxy)phenyl]-N-methylmethanamine
CID 82927336
1-[2-(2-chloroprop-2-enoxy)-5-fluorophenyl]-N-methylmethanamine
CID 107695216
1-[3-bromo-4-(pyrimidin-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 55145987
2-[2-bromo-4-(methylaminomethyl)phenoxy]-N-(3-methoxypropyl)acetamide
CID 63045317
2-[2-bromo-4-(methylaminomethyl)phenoxy]-1-morpholin-4-ylethanone
CID 63045841
N-[[3-bromo-4-(2-bromoprop-2-enoxy)phenyl]methyl]propan-1-amine
CID 63044827
1-(3-bromo-4-chlorophenyl)-N-methylmethanamine
CID 75355471

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-4-(2-chloroprop-2-enoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-bromo-4-(2-chloroprop-2-enoxy)phenyl]-N-methylmethanamine (CID 63044631) is 1-[3-bromo-4-(2-chloroprop-2-enoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-bromo-4-(2-chloroprop-2-enoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-bromo-4-(2-chloroprop-2-enoxy)phenyl]-N-methylmethanamine is C=C(Cl)COc1ccc(CNC)cc1Br.
What is the InChIKey of 1-[3-bromo-4-(2-chloroprop-2-enoxy)phenyl]-N-methylmethanamine?
The InChIKey is HBRNIECPKLBIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO/c1-8(13)7-15-11-4-3-9(6-14-2)5-10(11)12/h3-5,14H,1,6-7H2,2H3.
What are the key properties of 1-[3-bromo-4-(2-chloroprop-2-enoxy)phenyl]-N-methylmethanamine?
1-[3-bromo-4-(2-chloroprop-2-enoxy)phenyl]-N-methylmethanamine has a molecular weight of 290.59 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-4-(2-chloroprop-2-enoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 63044631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).