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

C11H13Cl2NO2 — CID 60880538

IUPAC[3-chloro-4-(2-chloroprop-2-enoxy)-5-methoxyphenyl]methanamine
SMILESC=C(Cl)COc1c(Cl)cc(CN)cc1OC
InChIInChI=1S/C11H13Cl2NO2/c1-7(12)6-16-11-9(13)3-8(5-14)4-10(11)15-2/h3-4H,1,5-6,14H2,2H3
InChIKeyQCJCVXVELINYKP-UHFFFAOYSA-N
MW262.14 g/mol
LogP2.94
Rot. Bonds5

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

[3-chloro-4-(2-chloroprop-2-enoxy)-5-methoxyphenyl]methanamine (PubChem CID 60880538) has the molecular formula C11H13Cl2NO2 and a molecular weight of 262.14 g/mol. Its IUPAC name is [3-chloro-4-(2-chloroprop-2-enoxy)-5-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[3-chloro-4-(2-chloroprop-2-enoxy)-5-methoxyphenyl]methanamine
PubChem CID60880538
Molecular FormulaC11H13Cl2NO2
Molecular Weight262.14 g/mol
Exact Mass261.03
IUPAC Name[3-chloro-4-(2-chloroprop-2-enoxy)-5-methoxyphenyl]methanamine
SMILESC=C(Cl)COc1c(Cl)cc(CN)cc1OC
InChIInChI=1S/C11H13Cl2NO2/c1-7(12)6-16-11-9(13)3-8(5-14)4-10(11)15-2/h3-4H,1,5-6,14H2,2H3
InChIKeyQCJCVXVELINYKP-UHFFFAOYSA-N
XLogP2.94
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-chloro-5-methoxy-4-(2-methylprop-2-enoxy)phenyl]methanamine
CID 60880536
[3-bromo-4-(2-chloroprop-2-enoxy)-5-methoxyphenyl]methanamine
CID 60889264
1-[3-chloro-4-(2-chloroprop-2-enoxy)-5-methoxyphenyl]propan-2-amine
CID 54930700
2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-carbamoylacetamide
CID 28966876
1-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]propan-2-ol
CID 60879592
2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-(2-methoxyethyl)acetamide
CID 61487525
[4-(2-bromoprop-2-enoxy)-3-chloro-5-methoxyphenyl]methanol
CID 60873214
1-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-2,3-dimethylbutan-2-ol
CID 114491498
3-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-1,1,1-trifluoropropan-2-ol
CID 63900814
1-[[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]methyl]cyclohexan-1-ol
CID 65208476
2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-(3-methoxypropyl)acetamide
CID 61486427
1-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-3-(2-methoxyethoxy)propan-2-ol
CID 106988428

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-(2-chloroprop-2-enoxy)-5-methoxyphenyl]methanamine?
The IUPAC name of [3-chloro-4-(2-chloroprop-2-enoxy)-5-methoxyphenyl]methanamine (CID 60880538) is [3-chloro-4-(2-chloroprop-2-enoxy)-5-methoxyphenyl]methanamine.
What is the SMILES notation for [3-chloro-4-(2-chloroprop-2-enoxy)-5-methoxyphenyl]methanamine?
The canonical SMILES for [3-chloro-4-(2-chloroprop-2-enoxy)-5-methoxyphenyl]methanamine is C=C(Cl)COc1c(Cl)cc(CN)cc1OC.
What is the InChIKey of [3-chloro-4-(2-chloroprop-2-enoxy)-5-methoxyphenyl]methanamine?
The InChIKey is QCJCVXVELINYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO2/c1-7(12)6-16-11-9(13)3-8(5-14)4-10(11)15-2/h3-4H,1,5-6,14H2,2H3.
What are the key properties of [3-chloro-4-(2-chloroprop-2-enoxy)-5-methoxyphenyl]methanamine?
[3-chloro-4-(2-chloroprop-2-enoxy)-5-methoxyphenyl]methanamine has a molecular weight of 262.14 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-(2-chloroprop-2-enoxy)-5-methoxyphenyl]methanamine is sourced from PubChem (CID 60880538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).