1-[2-(2-bromoprop-2-enoxy)-3-chlorophenyl]-N-methylmethanamine

C11H13BrClNO — CID 112608720

IUPAC1-[2-(2-bromoprop-2-enoxy)-3-chlorophenyl]-N-methylmethanamine
SMILESC=C(Br)COc1c(Cl)cccc1CNC
InChIInChI=1S/C11H13BrClNO/c1-8(12)7-15-11-9(6-14-2)4-3-5-10(11)13/h3-5,14H,1,6-7H2,2H3
InChIKeyKUVXQSXEVAGSKZ-UHFFFAOYSA-N
MW290.59 g/mol
LogP3.35
Rot. Bonds5

About 1-[2-(2-bromoprop-2-enoxy)-3-chlorophenyl]-N-methylmethanamine

1-[2-(2-bromoprop-2-enoxy)-3-chlorophenyl]-N-methylmethanamine (PubChem CID 112608720) has the molecular formula C11H13BrClNO and a molecular weight of 290.59 g/mol. Its IUPAC name is 1-[2-(2-bromoprop-2-enoxy)-3-chlorophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(2-bromoprop-2-enoxy)-3-chlorophenyl]-N-methylmethanamine
PubChem CID112608720
Molecular FormulaC11H13BrClNO
Molecular Weight290.59 g/mol
Exact Mass288.99
IUPAC Name1-[2-(2-bromoprop-2-enoxy)-3-chlorophenyl]-N-methylmethanamine
SMILESC=C(Br)COc1c(Cl)cccc1CNC
InChIInChI=1S/C11H13BrClNO/c1-8(12)7-15-11-9(6-14-2)4-3-5-10(11)13/h3-5,14H,1,6-7H2,2H3
InChIKeyKUVXQSXEVAGSKZ-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-2-ethoxyphenyl)-N-methylmethanamine
CID 58664109
ethyl 2-[2-chloro-6-(methylaminomethyl)phenoxy]acetate
CID 112608576
2-[2-chloro-6-(methylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 112608605
1-[3-chloro-2-(2-fluoroethoxy)phenyl]-N-methylmethanamine
CID 112608474
1-[2-chloro-6-(methylaminomethyl)phenoxy]-2-phenylpropan-2-ol
CID 115952355
1-[3-chloro-2-(3-methylbutoxy)phenyl]-N-methylmethanamine
CID 112608537
1-[3-chloro-2-(pyrimidin-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 112608649
3-[[2-chloro-6-(methylaminomethyl)phenoxy]methyl]phenol
CID 112608572
N-methyl-1-[3-methyl-2-(2-methylprop-2-enoxy)phenyl]methanamine
CID 112608358
1-[3-bromo-2-(2-methylidenebutoxy)phenyl]-N-methylmethanamine
CID 66046621
N-[[3-chloro-2-(2-methylidenebutoxy)phenyl]methyl]cyclopropanamine
CID 112609951
1-[3-chloro-2-(3-methylsulfonylpropoxy)phenyl]-N-methylmethanamine
CID 112608503

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromoprop-2-enoxy)-3-chlorophenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(2-bromoprop-2-enoxy)-3-chlorophenyl]-N-methylmethanamine (CID 112608720) is 1-[2-(2-bromoprop-2-enoxy)-3-chlorophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(2-bromoprop-2-enoxy)-3-chlorophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(2-bromoprop-2-enoxy)-3-chlorophenyl]-N-methylmethanamine is C=C(Br)COc1c(Cl)cccc1CNC.
What is the InChIKey of 1-[2-(2-bromoprop-2-enoxy)-3-chlorophenyl]-N-methylmethanamine?
The InChIKey is KUVXQSXEVAGSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO/c1-8(12)7-15-11-9(6-14-2)4-3-5-10(11)13/h3-5,14H,1,6-7H2,2H3.
What are the key properties of 1-[2-(2-bromoprop-2-enoxy)-3-chlorophenyl]-N-methylmethanamine?
1-[2-(2-bromoprop-2-enoxy)-3-chlorophenyl]-N-methylmethanamine has a molecular weight of 290.59 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bromoprop-2-enoxy)-3-chlorophenyl]-N-methylmethanamine is sourced from PubChem (CID 112608720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).