[3-bromo-4-(2-chloroprop-2-enoxy)-5-methoxyphenyl]methanamine

C11H13BrClNO2 — CID 60889264

IUPAC[3-bromo-4-(2-chloroprop-2-enoxy)-5-methoxyphenyl]methanamine
SMILESC=C(Cl)COc1c(Br)cc(CN)cc1OC
InChIInChI=1S/C11H13BrClNO2/c1-7(13)6-16-11-9(12)3-8(5-14)4-10(11)15-2/h3-4H,1,5-6,14H2,2H3
InChIKeyMVYUOINEKHJMJY-UHFFFAOYSA-N
MW306.59 g/mol
LogP3.05
Rot. Bonds5

About [3-bromo-4-(2-chloroprop-2-enoxy)-5-methoxyphenyl]methanamine

[3-bromo-4-(2-chloroprop-2-enoxy)-5-methoxyphenyl]methanamine (PubChem CID 60889264) has the molecular formula C11H13BrClNO2 and a molecular weight of 306.59 g/mol. Its IUPAC name is [3-bromo-4-(2-chloroprop-2-enoxy)-5-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[3-bromo-4-(2-chloroprop-2-enoxy)-5-methoxyphenyl]methanamine
PubChem CID60889264
Molecular FormulaC11H13BrClNO2
Molecular Weight306.59 g/mol
Exact Mass304.98
IUPAC Name[3-bromo-4-(2-chloroprop-2-enoxy)-5-methoxyphenyl]methanamine
SMILESC=C(Cl)COc1c(Br)cc(CN)cc1OC
InChIInChI=1S/C11H13BrClNO2/c1-7(13)6-16-11-9(12)3-8(5-14)4-10(11)15-2/h3-4H,1,5-6,14H2,2H3
InChIKeyMVYUOINEKHJMJY-UHFFFAOYSA-N
XLogP3.05
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.59
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-chloro-4-(2-chloroprop-2-enoxy)-5-methoxyphenyl]methanamine
CID 60880538
2-[3-bromo-5-methoxy-4-(2-methylprop-2-enoxy)phenyl]ethanamine
CID 54931058
[3-bromo-5-ethoxy-4-(2-methylidenebutoxy)phenyl]methanamine
CID 66045664
5-[4-(aminomethyl)-2-bromo-6-methoxyphenoxy]pentan-1-ol
CID 55053052
[3-bromo-5-ethoxy-4-(2-methylprop-2-enoxy)phenyl]methanamine
CID 60888518
(3-bromo-5-methoxy-4-pentoxyphenyl)methanamine
CID 7139507
[3-chloro-5-methoxy-4-(2-methylprop-2-enoxy)phenyl]methanamine
CID 60880536
(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methanamine
CID 43622225
1-[3-bromo-5-methoxy-4-(2-methylidenebutoxy)phenyl]propan-2-amine
CID 66038772
1-[3-bromo-5-methoxy-4-(2-methylidenebutoxy)phenyl]-N-methylmethanamine
CID 66045193
[3-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methanamine
CID 60888896
3-[4-(aminomethyl)-2-bromo-6-methoxyphenoxy]-1,1,1-trifluoropropan-2-ol
CID 63899803

Frequently Asked Questions

What is the IUPAC name of [3-bromo-4-(2-chloroprop-2-enoxy)-5-methoxyphenyl]methanamine?
The IUPAC name of [3-bromo-4-(2-chloroprop-2-enoxy)-5-methoxyphenyl]methanamine (CID 60889264) is [3-bromo-4-(2-chloroprop-2-enoxy)-5-methoxyphenyl]methanamine.
What is the SMILES notation for [3-bromo-4-(2-chloroprop-2-enoxy)-5-methoxyphenyl]methanamine?
The canonical SMILES for [3-bromo-4-(2-chloroprop-2-enoxy)-5-methoxyphenyl]methanamine is C=C(Cl)COc1c(Br)cc(CN)cc1OC.
What is the InChIKey of [3-bromo-4-(2-chloroprop-2-enoxy)-5-methoxyphenyl]methanamine?
The InChIKey is MVYUOINEKHJMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO2/c1-7(13)6-16-11-9(12)3-8(5-14)4-10(11)15-2/h3-4H,1,5-6,14H2,2H3.
What are the key properties of [3-bromo-4-(2-chloroprop-2-enoxy)-5-methoxyphenyl]methanamine?
[3-bromo-4-(2-chloroprop-2-enoxy)-5-methoxyphenyl]methanamine has a molecular weight of 306.59 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-4-(2-chloroprop-2-enoxy)-5-methoxyphenyl]methanamine is sourced from PubChem (CID 60889264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).